data_2ida_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 2ida _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -21.89 11.22 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.97 -30.34 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.672 0.272 . . . . 0.0 111.408 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.544 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.1 t -67.62 -29.43 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 110.443 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.95 -12.62 60.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.85 7.21 23.83 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.971 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 8' ' ' VAL . 48.2 pt -100.62 147.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.154 0.477 . . . . 0.0 110.522 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.31 -175.07 3.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.541 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 50.6 m -86.72 121.82 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.803 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.4 -174.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.523 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -124.2 127.47 25.32 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 27.1 Cg_exo -63.25 147.82 93.54 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.083 2.522 . . . . 0.0 112.412 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 t -80.08 -31.01 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.48 -170.85 3.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.726 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA3' ' A' ' 96' ' ' GLY . 35.1 mt -91.15 7.18 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.333 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA2' HD11 ' A' ' 34' ' ' LEU . . . -178.9 -155.86 15.76 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.053 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.72 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -55.87 -39.88 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.18 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 tp10 -65.08 -43.15 93.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.0 m -67.91 -33.07 73.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.976 0.417 . . . . 0.0 110.476 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.09 -23.89 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.4 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 10.7 ptmt -70.83 -20.91 62.51 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 110.483 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.23 8.25 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.85 44.3 96.07 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.443 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 m -113.85 145.5 33.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.93 167.69 26.66 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.916 2.41 . . . . 0.0 112.827 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -134.78 166.58 22.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.83 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 33' ' ' HIS . 43.1 t -90.55 -64.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.468 ' CD2' HG11 ' A' ' 32' ' ' VAL . 95.5 m-70 -142.62 163.78 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 94.4 mt -120.68 139.52 52.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.482 . . . . 0.0 112.086 -171.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.2 mtt180 -124.4 120.48 32.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.534 175.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.5 tt -110.94 137.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.96 148.15 52.25 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.604 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.2 mmm180 -87.66 23.65 1.91 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.221 0.534 . . . . 0.0 109.672 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -129.17 -73.07 0.58 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.407 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -85.1 -16.84 39.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.713 0.292 . . . . 0.0 111.436 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 16' ' ' PRO . . . 77.08 13.58 83.51 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.34 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -90.07 142.01 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 44' ' ' GLY . 3.6 t -97.44 166.37 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.457 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.428 ' HA2' ' HD1' ' A' ' 53' ' ' HIS . . . -170.99 147.81 10.73 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.606 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 4.8 p -72.93 145.51 46.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.864 0.332 . . . . 0.0 110.217 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 8.6 p -64.39 169.98 4.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.718 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.541 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.4 p-10 -71.82 -16.68 62.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.447 . . . . 0.0 110.06 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.446 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 34.0 t70 -65.67 -26.43 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.709 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -84.49 140.91 38.76 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.217 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.81 -19.84 69.65 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.603 2.202 . . . . 0.0 112.89 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.657 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.2 t60 -75.59 -35.85 60.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 98.1 mttt 49.81 58.88 4.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.46 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.428 ' HD1' ' HA2' ' A' ' 44' ' ' GLY . 11.4 t-80 -77.36 -36.85 53.26 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.837 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.96 86.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.73 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 17.7 p -75.31 -46.94 30.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.543 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.75 -38.28 90.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -63.54 -41.83 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.487 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -56.62 -48.1 78.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.783 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.6 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.22 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -107.37 -30.35 8.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.63 45.73 5.68 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.986 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -116.06 93.3 38.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 89.5 Cg_endo -78.66 -18.1 12.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.905 2.403 . . . . 0.0 114.352 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 11' ' ' ILE . 51.3 mt -106.87 121.77 60.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.367 0.603 . . . . 0.0 111.571 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.19 155.59 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.711 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -121.59 145.41 48.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.716 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.67 107.39 2.17 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.29 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.613 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.6 t80 -92.51 -44.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.732 -176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 1.4 t70 -60.86 -47.8 94.64 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 43.4 Cg_endo -98.87 91.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.628 2.219 . . . . 0.0 111.08 165.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 54.63 3.62 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.994 2.462 . . . . 0.0 112.923 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.8 mt-10 -69.44 -36.91 77.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 58.1 0.86 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.27 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 55.8 p-90 -137.97 155.71 48.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 110.41 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.41 126.63 6.15 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.713 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 41.1 t-105 -103.87 129.47 51.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.6 t -108.26 105.39 15.08 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -50.83 -50.15 57.18 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.9 m -67.78 -21.78 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.8 m-20 -98.76 -32.63 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.542 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 69.82 18.95 7.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.565 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.8 140.04 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.624 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.5 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 37.9 ttp -112.48 108.88 18.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.903 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.488 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 44.3 p90 -108.84 179.94 4.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.74 139.84 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.397 0.617 . . . . 0.0 112.244 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.7 mt -137.77 41.77 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.611 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 t -63.22 -35.98 82.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.251 -170.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.31 -10.21 21.52 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.082 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.25 -2.83 26.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.455 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.0 ptp -49.52 139.86 11.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.991 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 m -69.94 125.02 91.78 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.27 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.54 155.99 59.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.87 2.38 . . . . 0.0 111.596 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.613 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 25.1 p-80 -81.59 130.41 35.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.163 0.506 . . . . 0.0 110.783 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -92.35 2.32 56.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.133 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.464 ' HA3' HD23 ' A' ' 19' ' ' LEU . . . 169.04 -172.88 43.47 Favored Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.92 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -88.19 113.83 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.001 2.467 . . . . 0.0 111.957 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.46 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 30.3 mt -78.49 120.41 80.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.671 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 10.8 Cg_exo -71.19 103.4 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.871 2.38 . . . . 0.0 112.509 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -81.0 106.05 12.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.03 -43.43 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.016 -0.992 . . . . 0.0 111.424 -177.1 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' HG21 ' A' ' 8' ' ' VAL . 26.4 p . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -63.68 -15.79 59.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -62.11 -27.04 68.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.847 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.7 t -67.0 -29.39 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.397 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.7 50.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.708 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.41 -19.26 14.38 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.759 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 8' ' ' VAL . 41.4 pt -81.92 152.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.008 0.432 . . . . 0.0 110.881 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.46 177.64 7.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 -178.41 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -82.17 108.92 16.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.407 HG22 ' HA2' ' A' ' 41' ' ' GLY . 22.0 m -100.38 176.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.056 -170.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.5 m -99.99 126.15 37.65 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.82 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 20.2 Cg_exo -65.74 110.88 1.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.561 2.174 . . . . 0.0 111.78 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -70.67 -16.0 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.197 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.64 161.71 37.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.55 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HA3' ' A' ' 96' ' ' GLY . 2.8 mm? -89.69 -42.82 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 109.876 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' HD12 ' A' ' 34' ' ' LEU . . . -133.77 -148.0 5.77 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 176.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 100.0 5.85 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -36.35 73.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.409 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.3 tt0 -63.33 -42.15 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' SER . 95.9 m -67.96 -35.08 77.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.943 0.401 . . . . 0.0 110.419 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.98 -16.12 63.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.989 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HG3' HG21 ' A' ' 27' ' ' ILE . 35.6 pttt -81.78 -22.43 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.711 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.531 HG21 ' HG3' ' A' ' 26' ' ' LYS . 10.0 pt -127.59 6.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 45.85 33.52 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.279 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.509 ' OG ' HG13 ' A' ' 27' ' ' ILE . 49.8 m -106.22 153.04 40.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.29 172.27 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.795 2.33 . . . . 0.0 113.099 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.9 p90 -151.14 155.83 39.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.737 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG11 HG13 ' A' ' 102' ' ' VAL . 21.2 t -97.94 -57.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.352 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -131.84 164.39 26.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD12 ' HA2' ' A' ' 20' ' ' GLY . 77.3 mt -133.4 130.26 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.102 -174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.673 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 19.1 mtm180 -126.23 125.43 42.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.085 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tt -105.8 141.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.701 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.41 142.38 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.664 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -87.55 6.63 33.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.566 0.698 . . . . 0.0 109.234 168.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -72.28 0.71 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.218 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 p -92.84 -4.15 53.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.889 -173.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA2' HG22 ' A' ' 14' ' ' VAL . . . 68.94 15.43 69.28 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.846 -0.693 . . . . 0.0 113.938 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.61 136.82 32.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.248 -0.56 . . . . 0.0 109.945 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 t -93.82 139.08 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.433 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.98 142.96 14.52 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.975 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.0 p -72.65 139.99 47.68 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.673 ' SG ' ' HG3' ' A' ' 35' ' ' ARG . 77.1 m -62.43 171.84 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.677 0.751 . . . . 0.0 112.596 -173.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.2 p-10 -75.93 -4.64 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.723 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.547 ' OD1' ' HB2' ' A' ' 46' ' ' CYS . 3.1 p-10 -88.45 -8.85 54.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.562 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 26.6 m -97.33 155.7 37.06 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.788 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 49' ' ' SER . 11.3 Cg_endo -54.76 -30.3 66.49 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.507 2.805 . . . . 0.0 114.318 -173.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -88.35 -32.99 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 52.3 mtmt 53.03 36.08 21.18 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.2 0.524 . . . . 0.0 110.586 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -66.07 -27.66 68.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.561 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.9 92.58 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.2 p -75.43 -44.59 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.95 0.405 . . . . 0.0 110.395 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -58.06 -43.09 86.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.332 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -57.86 -43.93 86.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.977 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -57.81 -48.65 79.11 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.183 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.91 -26.5 66.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.727 0.299 . . . . 0.0 111.277 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.21 6.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.72 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -84.42 -30.28 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.53 45.47 6.86 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.997 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -114.64 93.96 35.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 72.5 Cg_endo -77.58 -18.9 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.704 2.27 . . . . 0.0 113.907 -171.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 11' ' ' ILE . 45.0 mt -105.1 124.07 59.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.806 0.812 . . . . 0.0 111.872 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 ' NE ' ' A' ' 35' ' ' ARG . 12.2 pt -131.2 161.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.533 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 39.3 tt0 -128.02 149.39 50.39 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.05 106.23 1.59 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.901 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -41.84 14.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 110.632 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -79.96 -37.43 1.1 Allowed Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.902 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 8.3 Cg_endo -89.49 117.46 0.76 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.225 1.95 . . . . 0.0 111.821 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.29 28.15 0.3 Allowed 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.369 2.713 . . . . 0.0 113.509 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.85 -28.63 40.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.45 70.91 1.14 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -132.37 152.29 51.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.23 136.8 12.54 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.963 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -116.28 135.28 54.03 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 8.6 t -115.93 104.48 11.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -45.96 -52.58 11.44 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.771 0.669 . . . . 0.0 112.759 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' OD1' ' A' ' 81' ' ' ASP . 30.3 m -70.52 -20.28 22.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 1.4 m-20 -97.95 -34.47 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 64.75 26.72 13.06 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.843 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.21 137.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.98 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.9 ttp -106.96 127.66 53.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.014 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.457 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 27.3 p90 -125.38 162.85 23.87 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.67 141.54 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.012 0.434 . . . . 0.0 110.236 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.1 mt -130.19 10.19 5.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.981 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' A' ' 91' ' ' MET . 22.9 t -57.14 -23.68 49.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.63 -22.25 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.376 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.4 mtt85 -139.49 18.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.071 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.533 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.5 ptm -64.42 147.68 52.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -166.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -100.25 101.51 14.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.741 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.41 158.66 29.28 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.395 2.063 . . . . 0.0 112.562 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -74.58 110.66 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.511 . . . . 0.0 109.967 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -80.84 -22.24 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.639 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.49 ' HA3' HD12 ' A' ' 19' ' ' LEU . . . -107.79 160.98 13.7 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.519 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -73.97 98.3 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.082 2.522 . . . . 0.0 111.518 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.4 mt -81.19 123.85 81.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.806 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.04 116.98 3.64 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 111.573 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.96 106.15 12.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.933 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -86.38 -21.7 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.479 HG13 HG11 ' A' ' 32' ' ' VAL . 5.2 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.727 0.298 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.81 -31.35 38.3 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.292 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -61.37 -24.25 66.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.611 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.88 -27.46 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.994 0.426 . . . . 0.0 110.981 -177.019 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.39 -1.34 32.96 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.127 -0.358 . . . . 0.0 111.365 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.4 45.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.31 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 8' ' ' VAL . 22.9 pt -100.56 153.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 110.587 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -129.43 167.65 17.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.868 177.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 9.9 m -81.28 102.87 10.68 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.46 0.647 . . . . 0.0 109.749 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.68 -179.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.247 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.7 m -115.88 135.84 22.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.468 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.526 ' HB2' ' HB2' ' A' ' 95' ' ' ASN . 37.1 Cg_exo -60.71 120.94 8.95 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.184 . . . . 0.0 112.481 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.8 t -74.28 -26.08 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.32 15.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.41 -46.28 8.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.328 0.585 . . . . 0.0 109.623 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.05 -164.49 25.78 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.527 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 53.0 t -63.61 118.94 8.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.2 -18.43 58.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.389 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.8 tt0 -91.36 -55.94 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 176.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 68.9 m -57.74 -29.24 64.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -174.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 79.9 mt -60.43 -24.4 65.15 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.0 ptmt -70.34 -29.54 66.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.614 0.245 . . . . 0.0 111.292 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 26' ' ' LYS . 24.6 pt -113.45 -9.8 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.75 0.31 . . . . 0.0 111.357 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.25 39.31 52.48 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.232 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -88.51 145.97 36.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.586 0.231 . . . . 0.0 110.676 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.23 159.05 54.89 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.771 2.314 . . . . 0.0 112.744 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -143.44 161.08 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.041 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.46 -50.06 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.561 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -141.14 157.96 44.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 94.9 mt -127.64 137.2 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 -176.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -135.45 132.31 37.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.035 0.445 . . . . 0.0 110.414 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 92' ' ' THR . 15.1 tt -96.51 131.25 43.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.797 0.808 . . . . 0.0 109.831 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HA ' HG21 ' A' ' 66' ' ' ILE . 44.2 t -75.24 112.8 11.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.635 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.3 mmm180 -69.17 5.92 1.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -106.19 -37.77 6.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.648 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -134.18 4.82 3.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.859 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.55 11.9 80.29 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.918 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -84.11 130.0 34.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.89 126.99 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.694 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.69 156.98 22.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.993 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.98 149.18 32.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.682 0.277 . . . . 0.0 110.293 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.97 155.94 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.051 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 9.2 p-10 -63.07 -18.89 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.729 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -39.62 86.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.291 0.567 . . . . 0.0 110.195 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -74.71 142.2 76.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.757 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.57 -30.53 21.89 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.938 3.092 . . . . 0.0 114.085 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -64.92 -42.42 94.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.357 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 61.6 mttm 51.45 37.05 18.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.2 -16.94 63.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.58 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.94 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.658 0.266 . . . . 0.0 110.837 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -69.12 -39.48 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.57 -43.6 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.618 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -59.72 -37.38 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.749 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -71.41 -30.98 66.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.51 -46.48 39.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.313 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.3 p -101.54 -21.53 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.7 44.7 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.723 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -117.89 98.46 51.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.52 -4.54 12.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.2 2.6 . . . . 0.0 115.034 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 HG23 HD12 ' A' ' 11' ' ' ILE . 42.3 mt -126.79 129.72 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.616 0.722 . . . . 0.0 111.991 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 HD12 ' OH ' ' A' ' 79' ' ' TYR . 22.9 pt -127.85 173.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.613 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' HH11 ' A' ' 38' ' ' ARG . 35.2 tt0 -134.08 143.26 47.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.289 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.88 105.83 1.3 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -93.43 -38.71 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.568 0.223 . . . . 0.0 111.164 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.6 p-10 -72.06 -37.4 4.88 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.511 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 96.7 Cg_endo -87.41 130.41 2.83 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.207 1.271 . . . . 0.0 112.133 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.99 42.84 0.54 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.26 2.64 . . . . 0.0 112.664 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.21 -59.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.38 77.93 1.38 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.054 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -143.18 155.44 44.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 110.677 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.81 146.65 18.82 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.269 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -120.12 130.28 54.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.8 t -109.01 114.84 28.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.505 ' OH ' HD12 ' A' ' 66' ' ' ILE . 88.5 m-85 -54.64 -64.46 0.82 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.19 -21.79 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.506 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -86.29 -36.4 19.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.436 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.77 22.63 10.27 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.536 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 81' ' ' ASP . 34.4 m -109.04 139.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.602 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.6 ttm -107.16 132.97 52.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.023 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -132.09 153.86 50.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.92 136.09 37.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.35 . . . . 0.0 110.702 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.19 16.53 6.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.639 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -61.33 -25.69 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.57 -171.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.17 -22.52 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.295 0.569 . . . . 0.0 110.988 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -139.25 32.81 2.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.578 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 111.867 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 36' ' ' ILE . 4.0 m -91.45 120.93 68.13 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.083 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 17.0 Cg_exo -67.17 162.73 37.1 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.668 2.245 . . . . 0.0 111.815 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -76.63 148.8 36.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.526 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 65.4 t30 -92.88 9.67 34.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.572 . . . . 0.0 110.503 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.76 -175.42 23.02 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.796 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.95 117.65 4.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.857 2.371 . . . . 0.0 111.895 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.87 129.87 34.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.2 107.54 1.38 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.59 2.193 . . . . 0.0 112.347 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -89.97 135.67 33.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.969 177.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -107.57 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.55 -177.714 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.4 p . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -55.36 -25.46 35.24 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.488 ' HB3' HD13 ' A' ' 65' ' ' ILE . 36.1 m80 -60.25 -25.77 65.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.34 -27.58 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.406 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.26 0.21 22.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.2 0.18 29.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 17.1 pt -97.1 152.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.792 0.296 . . . . 0.0 110.572 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -129.77 167.77 17.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.955 0.407 . . . . 0.0 110.985 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.401 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 33.1 m -70.21 115.93 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.772 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.74 165.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.7 m -103.39 123.33 41.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.647 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 9.0 Cg_exo -70.7 100.99 0.98 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.824 2.349 . . . . 0.0 111.575 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -71.8 -15.1 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.125 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.51 165.05 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.595 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.13 -58.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -94.64 -165.55 36.0 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.312 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 48.3 t -72.7 102.73 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -40.25 64.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.128 -174.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 28.2 tt0 -73.98 -36.2 64.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.824 0.345 . . . . 0.0 110.749 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -68.39 -29.7 68.45 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.26 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.2 mt -67.43 -26.3 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -76.36 -15.76 59.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.115 0.483 . . . . 0.0 110.248 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -116.48 6.57 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.21 49.48 70.78 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.487 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -123.07 149.52 57.24 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.559 0.218 . . . . 0.0 110.868 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 -160.89 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.961 2.441 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -156.51 163.8 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 102' ' ' VAL . 49.5 t -91.4 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 89.1 m-70 -135.37 150.73 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.787 0.327 . . . . 0.0 110.126 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 98' ' ' ILE . 95.1 mt -112.82 142.99 44.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.273 -175.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.7 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -134.74 137.75 43.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.594 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.579 ' HB ' ' HD2' ' A' ' 69' ' ' TYR . 17.3 tt -97.35 156.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -112.58 109.23 18.65 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 38' ' ' ARG . 12.4 mmm180 -69.1 8.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -107.31 -27.83 10.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.436 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.4 p -142.24 -3.6 1.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.441 -0.504 . . . . 0.0 112.0 -173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.94 79.1 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.624 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -94.36 134.29 37.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' H ' ' A' ' 44' ' ' GLY . 3.0 t -91.71 -177.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' H ' HG11 ' A' ' 43' ' ' VAL . . . 169.5 155.69 10.18 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 173.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 p -78.16 139.66 38.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.6 p -64.0 172.06 2.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.7 p-10 -76.83 -1.42 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.52 -21.01 61.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 t -87.18 141.58 32.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.927 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.93 -12.62 23.18 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.747 2.298 . . . . 0.0 112.956 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -83.87 -37.14 22.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 85.7 mttt 48.61 55.12 9.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.45 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -78.3 -18.13 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.352 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -47.79 67.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -71.71 -42.33 67.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -60.28 -35.11 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.763 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -64.37 -45.58 87.1 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.593 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -62.06 -44.74 96.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.204 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -64.01 -29.32 70.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.39 -53.81 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.4 p -90.04 -31.64 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.43 48.05 5.78 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.716 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.9 m170 -114.64 95.2 39.71 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -81.16 5.16 6.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.213 2.609 . . . . 0.0 114.878 -169.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 7' ' ' HIS . 37.2 mt -126.24 130.0 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.418 0.628 . . . . 0.0 111.698 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 77' ' ' TRP . 41.1 pt -129.26 172.16 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.961 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 44.2 tt0 -138.0 148.22 44.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.921 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.54 102.99 0.88 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.671 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.579 ' HD2' ' HB ' ' A' ' 36' ' ' ILE . 29.9 t80 -87.64 -43.49 11.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.706 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.584 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 9.8 t70 -77.06 -53.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.362 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 3.2 Cg_exo -81.69 107.03 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.975 1.783 . . . . 0.0 111.099 176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.0 Cg_exo -78.89 37.33 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.461 2.774 . . . . 0.0 112.506 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.15 -11.96 55.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 71.35 76.37 0.58 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.999 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.542 ' HE1' ' HB2' ' A' ' 71' ' ' PRO . 55.2 p-90 -142.06 148.89 39.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.39 132.91 9.8 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.426 ' HB3' HG13 ' A' ' 66' ' ' ILE . 75.8 t-105 -108.83 125.46 51.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.1 t -105.22 105.75 15.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -51.09 -55.44 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' OD1' ' A' ' 81' ' ' ASP . 23.7 m -66.26 -19.77 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.328 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.3 m-20 -97.34 -34.78 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.864 0.364 . . . . 0.0 110.502 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 66.14 32.05 8.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.64 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 HG21 ' CB ' ' A' ' 81' ' ' ASP . 34.5 m -118.35 140.73 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.703 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttp -107.35 115.31 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.129 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -109.01 168.66 9.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.12 132.3 35.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.641 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.8 mt -135.66 18.67 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.594 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.575 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 24.6 t -52.83 -41.63 64.39 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.22 -14.32 55.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -127.97 14.14 6.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.423 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 ptm -74.52 163.04 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.987 0.423 . . . . 0.0 110.885 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 m -85.64 124.05 71.75 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.99 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 131.76 22.69 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 111.776 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -75.41 128.44 35.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.911 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -93.29 17.01 11.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 111.035 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.53 160.18 32.75 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.675 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.97 155.01 26.15 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.752 2.302 . . . . 0.0 112.481 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.492 HD11 HD12 ' A' ' 34' ' ' LEU . 78.8 mt -118.32 123.75 29.11 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.48 131.63 45.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.684 2.256 . . . . 0.0 111.783 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.553 HH21 HG23 ' A' ' 102' ' ' VAL . 2.7 tpt180 -85.81 104.2 15.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.954 -175.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -102.59 -9.99 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.05 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.553 HG23 HH21 ' A' ' 100' ' ' ARG . 3.9 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.788 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.9 p . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.35 -29.29 67.56 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.733 0.242 . . . . 0.0 111.585 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 36.5 m80 -60.87 -25.93 67.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.82 0.343 . . . . 0.0 111.234 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.713 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.45 -27.08 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -175.166 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.7 2.34 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.818 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.78 11.55 10.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.594 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.713 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.2 pt -100.36 151.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.92 172.74 12.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.134 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -86.29 98.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.86 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.209 -169.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.5 m -107.89 126.48 29.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.014 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.55 135.29 63.54 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.847 2.365 . . . . 0.0 112.566 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 23.5 m -72.01 -31.89 66.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.96 171.84 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.682 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.27 -44.45 19.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.125 0.488 . . . . 0.0 109.951 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.55 -144.12 7.89 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.725 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' HD23 ' A' ' 34' ' ' LEU . 60.4 m -75.18 108.93 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.77 -0.253 . . . . 0.0 111.061 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.18 -31.35 5.61 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.956 0.785 . . . . 0.0 111.496 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.08 -63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.0 m -56.02 -29.76 60.84 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 77.6 mt -64.66 -16.19 62.45 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 27' ' ' ILE . 11.6 ptmt -68.43 -24.8 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 110.534 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 26' ' ' LYS . 7.8 pt -127.73 5.26 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.354 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.21 27.61 73.66 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.853 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -88.99 157.17 48.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.697 0.284 . . . . 0.0 111.453 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.475 ' HA ' ' CE2' ' A' ' 101' ' ' TYR . 16.3 Cg_exo -69.62 174.96 8.62 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.245 2.63 . . . . 0.0 113.106 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.7 p90 -150.54 160.68 43.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.259 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.59 -56.76 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -135.46 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.124 0.488 . . . . 0.0 111.296 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD23 ' SG ' ' A' ' 21' ' ' CYS . 76.9 mt -112.75 131.94 55.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.742 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HD3' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -141.65 134.33 28.54 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.474 0.654 . . . . 0.0 111.435 177.153 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' HB ' HG21 ' A' ' 43' ' ' VAL . 7.4 tt -119.53 141.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.105 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 m -72.93 143.82 47.55 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.481 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -82.95 36.8 0.51 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.055 0.455 . . . . 0.0 109.9 171.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -140.59 -62.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.63 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 14.7 p -102.08 -13.62 17.43 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.729 0.299 . . . . 0.0 111.688 -174.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.36 -1.63 88.41 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.565 -0.826 . . . . 0.0 114.105 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 12.4 m-70 -75.97 119.45 19.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 117.537 0.668 . . . . 0.0 111.182 -177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.516 HG21 ' HB ' ' A' ' 36' ' ' ILE . 45.0 t -87.96 122.23 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.817 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.23 160.57 19.82 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.066 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.7 p -72.76 128.78 36.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.91 160.88 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.54 -4.63 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.471 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -64.1 -36.49 84.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 109.97 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -86.7 146.03 40.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.71 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.25 -27.5 80.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.399 2.733 . . . . 0.0 113.779 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 40.6 m-70 -62.5 -42.53 99.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.185 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt 50.66 36.31 13.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.064 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.2 -18.49 48.71 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.355 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HD3' ' A' ' 35' ' ' ARG . . . -66.36 -48.58 69.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.696 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.8 p -78.63 -39.53 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -61.19 -37.45 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.93 -38.98 72.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.709 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -63.69 -39.46 94.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.9 0.381 . . . . 0.0 110.331 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -61.12 -32.56 72.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.798 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.23 -47.67 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -174.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -96.62 -14.36 22.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.92 47.89 77.61 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.522 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -110.51 92.33 13.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.27 -22.23 7.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.963 2.442 . . . . 0.0 113.946 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.8 mt -97.87 121.81 48.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.548 0.69 . . . . 0.0 111.441 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 38.0 pt -126.82 144.67 36.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.324 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.61 144.87 35.76 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 75' ' ' TRP . . . -68.27 110.09 3.24 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.741 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -92.2 -27.42 17.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.498 0.189 . . . . 0.0 111.211 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.633 ' CG ' ' HD3' ' A' ' 71' ' ' PRO . 5.5 p-10 -84.19 -38.36 0.67 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.439 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.633 ' HD3' ' CG ' ' A' ' 70' ' ' ASP . 58.4 Cg_endo -104.04 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.866 2.377 . . . . 0.0 111.29 170.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 5.0 Cg_exo -75.93 78.79 3.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -111.05 -0.46 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.229 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.538 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 73.3 73.08 0.91 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.077 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.457 ' CZ2' ' HA3' ' A' ' 68' ' ' GLY . 52.3 p-90 -142.63 142.31 32.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.849 0.357 . . . . 0.0 110.254 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.37 129.19 8.2 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.365 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -106.62 137.34 44.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.2 t -118.06 111.2 18.6 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' OH ' ' HB1' ' A' ' 54' ' ' ALA . 34.4 m-85 -46.67 -66.41 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -172.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.6 m -67.22 -21.12 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -84.16 -36.94 22.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 0.0 110.187 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 67.97 23.85 8.12 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.536 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 m -112.06 150.46 14.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.496 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 57.1 ttp -119.85 120.4 36.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.705 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -115.33 168.1 10.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.73 136.45 33.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.181 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.8 mt -134.35 25.77 3.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.023 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.538 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.4 p -56.54 -39.31 73.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 -10.23 59.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 110.81 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -125.29 14.79 8.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.234 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.1 ptp -61.93 154.3 26.71 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 m -98.48 108.04 45.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.402 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.54 131.17 18.3 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.389 2.059 . . . . 0.0 111.734 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.426 ' HD2' ' O ' ' A' ' 96' ' ' GLY . 55.0 p-80 -61.81 138.71 58.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.981 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.68 -56.5 13.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.768 -174.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 94' ' ' HIS . . . -134.05 -174.4 13.5 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.811 -174.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.29 119.24 6.24 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.906 2.404 . . . . 0.0 111.93 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.449 HG21 HD12 ' A' ' 34' ' ' LEU . 57.2 mt -97.74 123.03 53.26 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.831 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 17.0 Cg_exo -66.92 104.35 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.733 2.288 . . . . 0.0 111.833 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -88.48 117.67 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.475 ' CE2' ' HA ' ' A' ' 30' ' ' PRO . 79.1 m-85 -92.54 -59.54 2.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.779 -174.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.879 -175.418 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.457 -0.087 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -64.87 -24.54 67.57 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.58 -25.4 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.529 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 12.7 t -63.72 -30.48 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.202 0.525 . . . . 0.0 109.99 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.02 -17.49 59.65 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.38 37.35 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.225 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.511 HD13 HG21 ' A' ' 65' ' ' ILE . 47.8 pt -91.21 153.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.474 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 172.03 12.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.487 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.645 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 39.3 m -73.84 96.66 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.653 0.739 . . . . 0.0 111.088 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 HG22 ' HA2' ' A' ' 41' ' ' GLY . 22.2 m -84.83 161.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.205 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.4 m -96.11 128.57 36.59 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.943 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.64 107.8 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.725 2.284 . . . . 0.0 112.027 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -83.47 11.78 6.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.445 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -163.19 149.95 12.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.396 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' HA3' ' A' ' 96' ' ' GLY . 10.8 mp -80.68 -48.05 13.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.252 0.548 . . . . 0.0 109.925 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.58 -147.02 7.03 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.528 ' HG ' HD21 ' A' ' 34' ' ' LEU . 72.4 m -75.68 104.06 6.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.004 0.402 . . . . 0.0 110.043 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.24 -38.03 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 0.0 110.38 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.1 tp10 -60.39 -60.71 3.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.734 178.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.617 ' HB3' ' O ' ' A' ' 29' ' ' SER . 73.2 m -52.55 -40.24 62.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.773 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.11 -15.78 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.8 ptmt -83.51 -18.8 37.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.258 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.4 pt -118.49 -5.41 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.757 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.13 42.23 24.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.32 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 66.1 m -118.69 156.36 51.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.474 0.178 . . . . 0.0 110.996 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.3 179.58 5.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.703 2.268 . . . . 0.0 112.824 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -146.87 164.97 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.315 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG13 ' CD2' ' A' ' 33' ' ' HIS . 48.4 t -90.44 -66.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.283 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.483 ' CD2' HG13 ' A' ' 32' ' ' VAL . 88.2 m-70 -131.91 153.87 49.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.47 . . . . 0.0 111.16 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 HD21 ' HG ' ' A' ' 21' ' ' CYS . 97.5 mt -101.51 131.01 47.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.48 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HE ' HD12 ' A' ' 66' ' ' ILE . 7.7 mmm180 -120.83 109.43 15.13 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG22 ' HB3' ' A' ' 67' ' ' GLU . 14.0 tt -95.97 121.94 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 122.175 0.988 . . . . 0.0 109.869 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.98 116.29 14.43 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.708 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.645 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 8.7 mmm180 -72.42 1.98 7.01 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -173.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -98.88 -61.1 1.41 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.846 0.355 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 p -102.75 1.86 34.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA2' HG22 ' A' ' 14' ' ' VAL . . . 73.29 14.43 79.22 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.154 -0.546 . . . . 0.0 114.404 173.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -94.18 133.82 37.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.867 0.833 . . . . 0.0 110.681 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 21.5 t -90.86 132.37 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.98 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 171.55 22.45 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.925 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 6.7 p -83.12 137.12 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.804 0.335 . . . . 0.0 110.814 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.53 172.68 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.897 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.564 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.0 p-10 -75.81 -8.56 57.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.04 -42.56 85.65 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.866 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.9 m -83.1 134.78 45.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.72 -15.98 23.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.219 2.613 . . . . 0.0 113.501 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.68 -39.2 93.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.222 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 47.8 mtmt 46.87 51.4 12.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.519 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -76.0 -20.57 57.74 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.018 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.42 -44.67 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -74.24 -43.6 56.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -59.87 -29.24 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -65.56 -41.89 92.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -62.93 -38.21 90.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.478 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -67.43 -26.47 66.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.279 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.75 -50.1 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.3 p -94.73 -26.51 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.36 39.78 21.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.98 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -107.65 102.51 45.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.99 0.82 9.12 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.957 2.438 . . . . 0.0 115.666 -165.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.511 HG21 HD13 ' A' ' 11' ' ' ILE . 36.5 mt -126.69 126.98 69.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 118.885 0.766 . . . . 0.0 112.421 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 ' HE ' ' A' ' 35' ' ' ARG . 38.5 pt -129.74 138.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.163 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 36' ' ' ILE . 33.8 tt0 -103.86 148.48 26.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 108.56 2.54 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 14.3 t80 -93.03 -27.79 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -172.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.555 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 6.9 p-10 -78.48 -37.26 1.36 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.819 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 9.8 Cg_endo -89.9 118.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 121.842 1.695 . . . . 0.0 111.227 173.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.7 Cg_exo -71.21 35.8 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.219 2.613 . . . . 0.0 112.947 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 33.3 mt-10 -86.62 -38.66 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.299 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 84.8 0.76 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.18 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 51.3 p-90 -150.82 140.1 21.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 110.68 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.35 135.61 12.79 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.432 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.404 ' HE3' ' HB2' ' A' ' 84' ' ' MET . 56.6 t-105 -102.67 135.93 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 3.4 t -113.51 113.51 25.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -53.49 -67.13 0.28 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.8 m -61.88 -19.99 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.529 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -89.57 -36.67 15.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.88 0.371 . . . . 0.0 110.164 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.67 24.88 8.31 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.749 -176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 81' ' ' ASP . 35.9 m -117.95 141.37 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.531 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.404 ' HB2' ' HE3' ' A' ' 77' ' ' TRP . 54.3 ttp -100.03 138.03 37.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.098 174.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.529 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 51.1 p90 -131.81 145.29 51.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.47 137.38 55.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -140.46 23.78 2.31 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.636 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 t -61.75 -33.78 74.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.734 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.31 -19.16 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.16 16.63 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.685 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.15 165.31 18.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.129 0.49 . . . . 0.0 111.557 -172.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.459 HG23 HD12 ' A' ' 36' ' ' ILE . 40.6 p -84.14 134.24 43.86 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.035 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.8 116.13 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.357 2.038 . . . . 0.0 111.924 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -61.46 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 110.232 177.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -87.95 2.08 52.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.949 -166.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.535 ' HA3' ' HG ' ' A' ' 19' ' ' LEU . . . -157.18 175.04 34.72 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.932 -1.127 . . . . 0.0 112.817 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.19 127.17 10.34 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.965 2.444 . . . . 0.0 111.898 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 34' ' ' LEU . 63.5 mt -117.36 112.91 39.14 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.615 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 12.5 Cg_exo -70.08 123.9 10.44 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.936 2.424 . . . . 0.0 112.837 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HD2' ' OXT' ' A' ' 102' ' ' VAL . 6.9 tpp180 -70.66 104.56 2.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.332 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.41 -36.14 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.573 ' OXT' ' HD2' ' A' ' 100' ' ' ARG . 6.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 6' ' ' ARG . 11.7 ptt180 -60.37 -25.49 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -65.96 -26.71 67.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.604 0.24 . . . . 0.0 111.45 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 17.3 t -65.15 -29.24 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.482 0.658 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -13.04 62.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.17 -13.5 33.37 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.246 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 HD11 HG21 ' A' ' 65' ' ' ILE . 44.1 pt -86.28 152.11 3.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 117.23 0.515 . . . . 0.0 110.581 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -123.87 176.9 6.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.094 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -76.77 101.48 5.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.545 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 18.1 m -99.49 144.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.173 0.511 . . . . 0.0 111.84 -170.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -85.6 128.1 60.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.271 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.13 132.11 35.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.64 2.227 . . . . 0.0 112.417 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.51 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.3 m -60.23 -47.36 86.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.2 178.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.987 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.69 -59.21 5.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.271 0.557 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.71 -149.05 15.98 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.457 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 48.6 t -75.17 117.81 17.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -38.15 -70.36 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.473 1.108 . . . . 0.0 113.359 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.634 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 34.4 tt0 -68.8 -31.17 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 87.9 m -62.59 -32.71 73.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.061 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.703 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.634 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 32.6 pttt -67.35 -23.62 65.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.18 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 26' ' ' LYS . 22.6 pt -128.96 4.26 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.08 45.71 93.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.707 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -79.53 113.85 40.55 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.96 121.25 9.23 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.092 2.528 . . . . 0.0 112.755 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -109.85 157.42 19.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.433 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.84 -58.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -136.06 150.99 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.579 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.652 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 95.7 mt -109.49 132.12 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.19 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -129.65 126.19 37.81 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.301 0.572 . . . . 0.0 109.948 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 92' ' ' THR . 13.0 tt -96.32 124.83 49.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.913 0.863 . . . . 0.0 110.333 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.15 107.02 2.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.581 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HA ' HG22 ' A' ' 14' ' ' VAL . 10.2 mmm180 -70.99 6.39 1.58 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.6 -28.48 12.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.774 0.321 . . . . 0.0 111.511 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.84 -0.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.808 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.545 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 80.26 13.96 81.07 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.569 175.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.51 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 1.7 t60 -83.56 116.78 22.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.379 0.59 . . . . 0.0 109.913 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -86.83 124.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA2' ' SG ' ' A' ' 21' ' ' CYS . . . -141.85 154.25 24.72 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.252 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -73.43 140.98 46.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 48' ' ' ASP . 18.1 p -71.7 -179.65 2.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.742 0.306 . . . . 0.0 111.099 -177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 12.1 p-10 -75.73 -7.63 54.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.824 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 6.5 m-20 -64.49 -26.54 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -95.27 139.18 21.91 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.65 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.05 -29.72 66.59 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.334 2.69 . . . . 0.0 113.626 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -72.96 -25.19 60.92 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.809 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 54.1 mtmt 40.56 63.04 1.21 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.801 0.841 . . . . 0.0 113.102 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 5.8 m170 -76.98 -40.2 47.69 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.92 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p -75.04 -48.28 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.624 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.75 -27.91 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.418 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -68.13 -44.83 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -60.1 -42.82 95.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 0.0 110.212 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -61.26 -27.08 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.228 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.72 -48.94 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 p -93.35 -20.64 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.12 40.0 57.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.76 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -107.49 100.4 33.89 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 87.1 Cg_endo -85.8 6.7 5.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.024 2.483 . . . . 0.0 115.405 -166.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 HG21 HD11 ' A' ' 11' ' ' ILE . 24.7 mt -128.15 128.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.472 0.653 . . . . 0.0 112.259 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.8 pt -132.99 150.48 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.194 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.593 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.7 tt0 -116.36 144.58 44.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.462 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.57 107.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.257 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -93.08 -44.33 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.652 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.01 -36.65 11.53 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.09 -177.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 13.8 Cg_endo -93.26 123.79 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.19 1.927 . . . . 0.0 111.643 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 9.0 Cg_exo -72.74 44.3 0.75 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.238 2.626 . . . . 0.0 112.709 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.57 -52.47 5.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.966 0.412 . . . . 0.0 110.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.34 74.65 1.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.132 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -145.75 148.96 33.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.766 0.317 . . . . 0.0 110.689 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.03 139.67 14.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.103 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.406 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 65.4 t-105 -111.98 135.03 53.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.8 t -112.01 110.95 21.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -51.07 -59.8 3.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -173.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.4 HG21 ' OD1' ' A' ' 81' ' ' ASP . 18.4 m -68.72 -20.49 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -89.22 -37.13 15.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 0.0 110.134 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.87 32.67 10.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.287 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -120.94 148.29 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.17 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.406 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 47.4 ttm -110.59 129.13 55.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.711 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.482 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 37.1 p90 -119.98 169.63 10.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.691 0.281 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.63 135.43 33.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.436 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -135.98 27.03 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 p -59.21 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.78 -1.5 52.75 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -132.02 18.91 4.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.845 0.355 . . . . 0.0 110.395 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.593 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.7 ptm -72.83 148.81 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.638 -173.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.3 m -70.61 118.57 65.98 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.305 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.7 Cg_exo -66.44 138.42 50.37 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.738 2.292 . . . . 0.0 112.524 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -61.99 135.77 57.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.225 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.58 13.92 33.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.462 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.11 30.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.48 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.68 123.88 9.35 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.211 2.608 . . . . 0.0 112.101 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.08 129.07 36.59 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.565 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.85 112.19 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.609 2.206 . . . . 0.0 111.482 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HD3' ' OXT' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -102.23 127.32 49.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -97.33 -47.61 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.383 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.42 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 9.7 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.571 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.0 p . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -58.27 -23.11 55.15 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -61.72 -24.72 66.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -60.62 -28.07 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -178.228 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.84 -3.43 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.57 -5.47 48.41 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.438 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 8' ' ' VAL . 42.2 pt -101.74 153.77 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.528 . . . . 0.0 110.953 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 163.48 23.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.848 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -71.13 99.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.91 160.51 2.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.934 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -101.73 124.15 41.55 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.153 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HB2' ' ND2' ' A' ' 95' ' ' ASN . 43.2 Cg_exo -55.62 120.26 7.94 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.957 2.438 . . . . 0.0 112.495 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 t -87.66 -14.38 40.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.99 46.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.219 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.97 -58.01 2.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.97 -151.01 24.78 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.452 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.0 t -77.06 108.82 10.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.68 -0.306 . . . . 0.0 110.217 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.9 -37.49 19.89 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.894 0.746 . . . . 0.0 111.475 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.4 tp10 -74.65 -49.26 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 29' ' ' SER . 97.7 m -65.53 -30.57 71.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.726 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 88.4 mt -66.16 -19.35 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HG3' HG21 ' A' ' 27' ' ' ILE . 16.1 ptmt -73.78 -21.11 60.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 0.0 110.989 -177.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.533 HG21 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -127.2 -3.26 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.602 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.45 34.23 36.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.992 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 34.4 t -85.7 145.0 40.66 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.37 172.83 15.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.573 2.182 . . . . 0.0 112.042 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -150.09 158.17 43.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.72 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 33' ' ' HIS . 22.8 t -91.07 -64.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 110.328 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 95.7 m-70 -131.23 159.0 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.4 mt -111.81 142.73 43.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HD2' HD12 ' A' ' 66' ' ' ILE . 23.2 mmt180 -122.38 119.4 30.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.728 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 67' ' ' GLU . 12.4 tt -97.09 121.31 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.893 0.854 . . . . 0.0 109.732 175.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HA ' HG21 ' A' ' 66' ' ' ILE . 43.5 t -78.66 115.68 18.51 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.214 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 8.9 mmm180 -73.66 7.17 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -173.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -106.23 -23.73 12.5 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.689 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.85 -6.54 0.86 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.115 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.09 82.07 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.92 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 138.08 31.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.592 0.696 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.4 t -108.02 137.57 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.652 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.66 169.7 25.93 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.478 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.6 p -73.25 147.86 44.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 25.0 p -68.99 -173.26 0.47 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 111.119 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.534 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.7 p-10 -82.3 2.83 30.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.141 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.4 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 12.1 m-20 -79.17 -35.41 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.242 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -82.29 145.99 53.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.252 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.65 -36.54 32.62 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.745 2.963 . . . . 0.0 113.778 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -66.27 -42.93 87.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 91.0 mttt 51.68 40.13 26.72 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.203 -177.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -64.41 -23.3 67.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.666 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' HIS . . . -73.59 -42.11 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -74.17 -40.59 62.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.918 0.39 . . . . 0.0 110.528 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 52.5 mtp180 -66.06 -25.41 67.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 54' ' ' ALA . 69.2 t60 -61.78 -41.67 98.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.614 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.98 -36.58 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.291 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.48 -27.34 66.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.707 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.77 -58.29 2.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.93 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -84.04 -27.92 28.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.54 39.57 14.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.853 -175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -110.52 102.31 51.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 79.3 Cg_endo -86.33 2.52 7.28 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.089 2.526 . . . . 0.0 115.586 -167.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.493 HG22 HD11 ' A' ' 11' ' ' ILE . 57.7 mt -128.17 130.52 69.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.338 0.59 . . . . 0.0 112.33 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG21 ' HA ' ' A' ' 37' ' ' CYS . 34.5 pt -136.17 154.61 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.656 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.638 ' OE1' ' HD3' ' A' ' 38' ' ' ARG . 31.1 mt-10 -107.89 166.71 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.172 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.26 101.04 2.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 20.8 t80 -81.73 -22.2 37.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.057 0.456 . . . . 0.0 110.138 -177.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 3.6 t70 -76.63 -54.28 1.79 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.787 175.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 98.5 Cg_endo -95.42 101.81 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.118 1.879 . . . . 0.0 112.078 172.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 7.3 Cg_exo -74.22 50.24 2.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.491 2.794 . . . . 0.0 112.414 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.43 -23.78 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.4 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.82 76.26 1.31 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.481 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -151.96 145.19 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.71 133.8 10.92 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.228 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -107.77 131.71 54.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.2 t -112.31 114.18 26.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -53.11 -59.03 5.05 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -172.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG22 ' OD1' ' A' ' 81' ' ' ASP . 13.4 m -69.05 -27.89 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -80.5 -38.4 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.993 0.425 . . . . 0.0 110.302 -179.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 63.46 31.66 14.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.758 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 81' ' ' ASP . 22.5 m -114.88 152.38 16.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.719 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 48.1 ttm -116.55 113.12 22.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -105.75 151.15 24.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.714 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.88 122.69 24.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.628 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -118.5 23.05 11.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.415 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -62.85 -29.55 70.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.45 -20.58 61.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.406 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -133.24 23.97 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.002 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.8 ptp -62.91 147.9 48.96 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 m -99.33 106.26 38.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.889 173.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 7.1 Cg_exo -74.1 162.17 39.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.013 2.475 . . . . 0.0 112.472 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 51.2 p-80 -64.71 124.83 22.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 16' ' ' PRO . 5.7 p30 -81.04 -13.59 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.244 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.79 -173.97 33.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.039 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.62 121.36 8.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.189 2.593 . . . . 0.0 112.48 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.1 mt -109.42 124.52 33.65 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.77 111.84 2.5 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.388 2.059 . . . . 0.0 111.974 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -85.74 121.5 28.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.806 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.53 -43.5 6.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.427 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.304 -178.037 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.486 ' O ' HG11 ' A' ' 8' ' ' VAL . 21.5 p . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -54.48 -22.01 11.59 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.97 -24.08 62.29 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.625 177.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 HD12 ' A' ' 11' ' ' ILE . 11.4 p -59.38 -27.53 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 111.015 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -10.95 60.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.454 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 -30.71 7.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.932 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.55 HD12 HG22 ' A' ' 8' ' ' VAL . 14.0 pt -83.27 147.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.724 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.58 -179.32 5.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.321 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 107.37 7.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 160.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.718 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 m -96.47 125.69 46.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.211 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.53 113.57 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 111.531 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.492 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 2.3 p -76.0 -9.9 58.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.629 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.13 152.53 28.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.988 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.34 -46.42 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.288 0.565 . . . . 0.0 109.66 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.33 -165.14 21.11 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.658 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.07 98.55 5.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.6 tp10 -66.49 90.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.0 tp10 167.01 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 41.1 m -67.28 -29.36 68.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.29 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.56 -17.62 64.12 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.605 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 13.9 ptpt -74.64 -26.6 59.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.466 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.539 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.8 pt -110.93 -20.27 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.09 29.3 8.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.061 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.625 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.7 t -87.28 143.19 34.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 5.4 Cg_exo -79.14 -166.84 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.093 2.529 . . . . 0.0 112.234 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 99' ' ' PRO . 12.4 p90 -161.69 170.17 20.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.976 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.5 -66.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.492 ' HD2' ' OD1' ' A' ' 70' ' ' ASP . 32.3 m80 -131.49 144.55 51.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.877 0.37 . . . . 0.0 110.223 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.8 mt -102.33 134.31 45.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.795 174.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD2' HD13 ' A' ' 66' ' ' ILE . 78.7 mtt180 -126.96 136.11 51.81 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 92' ' ' THR . 14.6 tt -97.05 131.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.697 0.761 . . . . 0.0 110.282 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.76 112.54 13.46 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.031 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -72.11 2.72 5.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 -58.66 1.97 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.899 0.381 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.23 -15.87 15.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.328 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.01 23.45 45.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.823 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.492 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 9.1 t-80 -94.59 137.81 33.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.759 0.779 . . . . 0.0 110.089 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -105.35 143.28 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.4 169.13 39.75 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.192 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 12.1 p -73.01 133.47 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.024 0.44 . . . . 0.0 109.909 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 p -87.28 -169.07 2.46 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.447 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HB2' HG22 ' A' ' 55' ' ' THR . 28.0 t70 -58.5 -22.48 55.22 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.945 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.14 -34.98 59.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 m -104.43 148.07 35.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.285 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.2 -16.28 51.33 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.908 2.406 . . . . 0.0 113.312 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.4 t60 -76.84 -29.47 55.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 49' ' ' SER . 8.7 mtmt 49.15 44.17 22.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.38 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -68.17 -28.57 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 46' ' ' CYS . . . -75.97 -38.86 57.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 47' ' ' ASP . 60.1 p -77.69 -42.16 35.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.991 -176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.1 -27.69 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.88 -47.08 84.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HZ ' HG12 ' A' ' 80' ' ' VAL . 19.3 t80 -61.46 -40.02 93.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.631 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -60.95 -26.89 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.824 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.81 -51.88 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.008 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -81.05 -27.18 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.79 35.45 50.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.517 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -103.45 97.12 9.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.3 Cg_endo -80.24 -15.21 11.57 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.684 2.256 . . . . 0.0 114.839 -168.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.523 HG23 HD13 ' A' ' 11' ' ' ILE . 64.2 mt -110.12 126.27 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.634 0.731 . . . . 0.0 112.404 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.481 HD13 ' HD2' ' A' ' 35' ' ' ARG . 37.4 pt -130.94 160.57 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.442 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 40.1 tt0 -127.83 146.5 50.59 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.179 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.88 109.93 3.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.843 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.551 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.8 t80 -95.78 -40.81 9.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.667 0.27 . . . . 0.0 110.413 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.602 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 6.7 t70 -68.34 -47.55 37.3 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.57 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.1 Cg_endo -99.75 89.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.649 2.233 . . . . 0.0 111.29 167.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 2.8 Cg_exo -75.49 89.79 1.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.757 2.305 . . . . 0.0 112.037 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.9 mt-10 -113.08 -11.81 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.582 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 79.46 65.49 1.78 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 45.9 p-90 -142.17 149.33 39.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 110.805 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.57 118.03 4.14 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.746 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 74.1 t-105 -94.19 127.77 40.23 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.3 t -109.3 103.18 12.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -45.87 -56.62 5.18 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.574 HG22 ' OD1' ' A' ' 81' ' ' ASP . 16.3 m -67.39 -20.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.574 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -95.63 -35.19 11.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 0.0 110.174 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 63.52 29.44 15.33 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.358 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' A' ' 81' ' ' ASP . 21.9 m -115.51 146.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.017 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.9 ttm -113.07 108.5 17.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -99.73 165.52 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.394 0.616 . . . . 0.0 111.325 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -132.94 23.94 4.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.665 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.54 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 10.4 t -57.86 -37.67 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.921 -172.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -86.68 0.04 55.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.563 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.7 15.71 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.73 0.3 . . . . 0.0 110.24 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.444 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.2 ptm -69.87 153.46 43.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.692 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.448 HG21 HD13 ' A' ' 36' ' ' ILE . 3.0 m -84.91 116.33 64.9 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.445 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.37 157.72 41.1 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.384 2.056 . . . . 0.0 112.037 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.551 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 28.4 p-80 -91.21 129.0 37.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -93.03 -10.39 36.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.4 175.47 28.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.099 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.39 116.63 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.674 2.916 . . . . 0.0 112.143 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -95.3 129.13 36.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.648 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 31' ' ' TRP . 24.7 Cg_endo -63.69 109.58 1.09 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.624 2.216 . . . . 0.0 112.126 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -85.48 114.31 22.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.688 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -102.61 -8.86 20.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.321 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.23 0.067 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.5 -17.51 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 111.23 -177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.5 -26.41 68.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 14.7 t -68.0 -30.14 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 121.391 0.615 . . . . 0.0 109.809 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.79 60.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.588 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.4 -28.32 13.25 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.701 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 HG21 ' A' ' 65' ' ' ILE . 41.4 pt -76.15 151.31 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.214 0.53 . . . . 0.0 111.096 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.98 -170.42 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.634 -177.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -77.59 125.23 29.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 m -121.29 151.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.979 0.419 . . . . 0.0 111.668 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.6 m -93.21 126.78 49.51 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.512 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.9 130.91 38.92 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.057 2.504 . . . . 0.0 112.485 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -68.2 -37.94 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.8 173.03 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.85 -50.61 68.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.172 0.511 . . . . 0.0 109.935 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.93 -163.56 11.84 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.144 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 42.8 t -67.65 112.2 4.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -62.01 -29.49 70.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.103 0.478 . . . . 0.0 110.096 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.09 -53.26 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.93 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 29' ' ' SER . 70.2 m -66.6 -36.31 82.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.559 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 93.8 mt -67.15 -15.71 63.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.939 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -67.84 -25.58 65.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 110.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 29' ' ' SER . 17.2 pt -124.18 -11.62 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.4 26.71 24.77 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.826 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 15.9 t -84.54 150.75 57.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.441 0.296 . . . . 0.0 110.523 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -73.66 -172.47 1.08 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.034 2.489 . . . . 0.0 112.497 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.699 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 20.1 p90 -157.16 179.88 8.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.546 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 102' ' ' VAL . 55.9 t -106.26 -74.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -138.85 129.87 26.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.438 0.637 . . . . 0.0 111.027 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 50.9 mt -85.94 138.06 32.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.065 -176.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -112.7 130.68 55.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.972 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 69' ' ' TYR . 18.4 tt -97.45 127.23 49.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.844 0.83 . . . . 0.0 110.563 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.2 t -74.79 113.48 12.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.597 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -72.33 -0.27 11.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -96.86 -29.89 13.46 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.75 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.0 2.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.041 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.84 78.56 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.619 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.82 137.95 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.73 129.91 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.349 0.595 . . . . 0.0 110.859 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.33 125.14 3.1 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.92 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 31' ' ' TRP . 6.0 t -72.14 142.31 49.12 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.3 t -60.9 164.82 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 111.779 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.546 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.2 p-10 -63.89 -13.81 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.358 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.11 -32.06 73.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 m -85.92 143.6 37.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.547 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -32.9 59.45 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.131 2.554 . . . . 0.0 113.158 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -65.03 -35.48 81.31 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.291 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 50.2 mtmt 47.89 53.8 10.92 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.571 0.544 . . . . 0.0 111.727 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -78.88 -24.9 43.93 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.048 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.15 77.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.803 0.335 . . . . 0.0 110.499 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -71.74 -48.55 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.518 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -60.51 -37.37 80.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -65.74 -41.57 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.393 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.566 ' HZ ' HG12 ' A' ' 80' ' ' VAL . 14.3 t80 -59.35 -44.58 92.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.36 -31.99 71.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.3 -58.45 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.974 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.2 p -84.19 -23.01 30.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.13 44.78 12.76 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.258 -174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -115.98 99.99 53.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 98.8 Cg_endo -79.11 -18.43 11.29 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.865 2.377 . . . . 0.0 114.937 -167.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.517 HG21 HD12 ' A' ' 11' ' ' ILE . 46.4 mt -106.5 125.11 62.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.571 0.7 . . . . 0.0 112.609 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.19 159.61 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.829 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.08 168.67 17.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.6 101.32 2.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.147 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.662 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 25.1 t80 -91.89 -62.18 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.278 . . . . 0.0 111.457 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 4.4 t70 -64.9 -51.95 53.27 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 5.1 Cg_endo -88.51 108.02 0.52 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.151 1.9 . . . . 0.0 110.715 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.6 84.57 0.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.285 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.61 -37.43 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.91 75.92 1.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.609 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -157.3 146.51 20.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.811 0.338 . . . . 0.0 110.174 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.25 134.24 11.63 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.637 -176.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -113.51 128.89 56.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 6.9 t -110.83 107.6 17.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -52.48 -54.47 32.02 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.566 HG12 ' HZ ' ' A' ' 58' ' ' PHE . 11.5 m -62.86 -25.41 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.45 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.5 m-20 -93.06 -36.2 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.004 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 66.58 25.79 9.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.454 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -103.97 150.71 7.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.893 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -121.77 124.55 44.47 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 29.8 p90 -128.27 148.93 50.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.432 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -75.12 132.19 41.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 87' ' ' LEU . 22.3 mt -126.81 23.93 6.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.474 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -60.59 -25.97 66.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.261 0.553 . . . . 0.0 110.993 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.4 ' OD2' ' HG3' ' A' ' 90' ' ' ARG . 9.7 p-10 -81.2 -20.91 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.551 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG3' ' OD2' ' A' ' 89' ' ' ASP . 80.7 mtt180 -124.92 17.15 8.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.4 ptm -67.83 152.86 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.008 0.432 . . . . 0.0 111.841 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.8 m -108.42 105.12 56.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.784 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.96 149.92 85.91 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.937 2.424 . . . . 0.0 112.058 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.662 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 43.4 p-80 -61.05 133.48 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.001 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -71.17 -36.23 71.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.965 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.61 -160.77 8.79 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.812 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.11 112.33 2.71 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.234 2.623 . . . . 0.0 112.642 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -108.84 111.29 60.9 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.03 109.12 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.736 2.291 . . . . 0.0 111.754 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -74.89 109.13 8.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.83 -33.54 34.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.779 0.323 . . . . 0.0 110.509 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.488 HG23 HG12 ' A' ' 32' ' ' VAL . 3.4 m . . . . . 0 C--O 1.246 0.871 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.745 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 26.4 p . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -65.44 -22.32 66.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.548 0.213 . . . . 0.0 111.349 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.9 m80 -60.79 -25.9 66.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.607 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.503 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 16.4 t -64.6 -29.18 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.336 0.589 . . . . 0.0 110.278 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.14 -2.21 29.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.243 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.97 2.02 17.15 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.799 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 ' HB ' ' CB ' ' A' ' 38' ' ' ARG . 42.2 pt -101.07 153.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.57 168.0 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.208 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 121.2 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -107.24 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.238 0.542 . . . . 0.0 111.892 -174.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 m -126.77 126.04 24.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.328 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 95' ' ' ASN . 25.9 Cg_exo -63.04 130.11 27.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.396 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -76.08 -12.32 60.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.45 -173.28 3.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD21 ' HA3' ' A' ' 96' ' ' GLY . 81.1 mt -95.89 -43.86 7.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.66 -124.87 2.5 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.637 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.779 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 63.5 m -80.79 98.47 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.02 -59.87 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.083 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 15.9 tt0 -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.554 0.216 . . . . 0.0 111.22 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 79.3 m -51.46 -29.59 16.78 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.9 mt -55.55 -30.43 60.77 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG3' HG21 ' A' ' 27' ' ' ILE . 19.9 ptmt -63.38 -28.74 70.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.541 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.541 HG21 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.55 4.12 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 111.469 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.79 40.19 95.52 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.087 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 30.0 t -80.48 123.45 82.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.17 172.32 16.48 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.923 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -152.06 159.54 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.612 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' HG ' ' A' ' 49' ' ' SER . 57.4 t -79.32 -61.39 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 92.3 m-70 -144.27 -175.57 4.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.747 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 45' ' ' CYS . 94.6 mt -131.24 142.82 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.579 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.79 147.33 46.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.079 174.138 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 69' ' ' TYR . 12.2 tt -129.42 140.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.569 -173.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -67.59 142.27 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.175 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 13.3 mmm180 -81.9 38.86 0.54 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 -66.81 0.4 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.518 -172.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.0 p -99.13 -5.45 30.12 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 13.74 67.38 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.856 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -91.91 128.67 37.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.278 -0.542 . . . . 0.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.28 130.45 36.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.637 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.72 149.62 17.65 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.799 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.779 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.3 p -79.9 153.02 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.639 0.22 . . . . 0.0 110.437 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.537 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 85.3 m -58.97 146.21 38.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.092 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.572 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 17.9 m-20 -79.08 -0.77 32.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.458 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 46' ' ' CYS . 2.3 m-20 -65.46 -27.92 68.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.031 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.782 ' HG ' HG23 ' A' ' 32' ' ' VAL . 16.4 m -85.74 142.7 37.16 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.415 175.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.33 -33.64 22.95 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 123.684 2.923 . . . . 0.0 113.806 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -39.88 91.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.161 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 44.2 mtmt 44.7 74.24 0.13 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.87 0.732 . . . . 0.0 112.354 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 1.4 m80 -79.08 -38.02 37.35 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.053 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . . . -64.91 -46.82 80.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 47' ' ' ASP . 22.9 p -67.07 -45.15 78.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -67.08 -36.83 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.675 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.78 -40.52 88.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.992 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.71 -41.3 97.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -64.89 -32.01 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.042 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.44 -43.66 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.3 p -99.54 -28.11 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.7 43.15 9.3 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.151 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -110.75 95.88 25.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 99.0 Cg_endo -79.29 -17.76 11.44 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.786 2.324 . . . . 0.0 114.126 -171.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.5 mt -103.06 120.74 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.411 0.624 . . . . 0.0 111.805 -176.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 27.8 pt -121.61 131.72 72.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.144 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.607 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 35.6 tt0 -101.03 146.92 26.81 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.21 101.2 0.53 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.901 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.638 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 50.5 t80 -91.09 -57.73 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.536 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 5.3 t70 -72.14 -49.67 9.57 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.694 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 12.3 Cg_exo -70.89 112.76 3.36 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.813 1.675 . . . . 0.0 111.21 174.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.25 76.87 2.96 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.051 2.501 . . . . 0.0 112.216 -176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.01 -62.58 1.22 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.253 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 109.06 75.85 0.89 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.346 178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -149.21 156.48 42.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.78 124.57 5.72 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.911 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 65.3 t-105 -99.69 137.61 37.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.4 t -118.71 106.56 12.7 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -50.66 -52.27 41.38 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.473 HG23 ' OD1' ' A' ' 81' ' ' ASP . 14.7 m -64.77 -19.74 26.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.473 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.1 m-20 -102.29 -31.81 10.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.91 28.12 14.5 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.606 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.13 155.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.104 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.6 ttm -121.03 123.13 41.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.693 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.503 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 38.3 p90 -112.52 162.6 15.46 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.529 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 133.35 35.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.6 mt -135.68 22.41 3.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.403 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.564 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 32.8 t -57.69 -33.06 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.977 -173.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.38 1.26 55.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 0.0 111.59 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -134.22 6.97 3.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.18 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.607 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.8 ptm -67.06 153.66 43.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -167.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -91.8 102.77 6.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.862 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 91' ' ' MET . 12.1 Cg_exo -70.96 157.8 57.09 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.663 2.242 . . . . 0.0 112.11 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.638 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 9.0 p80 -49.43 126.93 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.664 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . 43.5 t30 -63.48 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.849 -177.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.515 ' HA3' HD21 ' A' ' 19' ' ' LEU . . . -155.17 -153.69 6.61 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.623 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.04 136.85 28.01 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.963 2.442 . . . . 0.0 111.391 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.0 mt -128.23 124.36 22.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.23 106.8 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.675 2.25 . . . . 0.0 111.804 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -86.6 112.7 21.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -85.91 -52.88 5.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.333 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.411 HG21 HG12 ' A' ' 32' ' ' VAL . 2.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.321 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -56.02 -28.25 56.57 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.01 -25.45 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.388 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.575 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 21.2 t -66.08 -30.14 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-O 121.227 0.537 . . . . 0.0 110.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -13.91 62.41 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.835 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -9.63 39.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.985 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.7 pt -88.03 154.62 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.962 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -129.46 174.25 9.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.9 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -85.48 108.91 18.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.3 166.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.386 0.612 . . . . 0.0 112.444 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.6 m -108.02 121.95 42.24 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.167 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.666 ' HG2' ' HH ' ' A' ' 69' ' ' TYR . 34.3 Cg_exo -59.78 123.64 13.69 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.842 2.361 . . . . 0.0 112.777 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 -33.08 74.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.551 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 166.83 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.361 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.23 -44.32 68.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' HD11 ' A' ' 34' ' ' LEU . . . -131.76 -152.64 7.22 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.441 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.0 t -79.32 97.49 6.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.56 -30.58 71.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.357 -174.646 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.52 -41.36 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.262 0.553 . . . . 0.0 109.978 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 29' ' ' SER . 87.7 m -67.99 -30.07 69.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 22' ' ' GLU . 91.5 mt -68.48 -19.59 64.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.878 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -76.61 -16.51 59.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.69 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.4 -1.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.85 47.16 33.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.045 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 45.1 t -96.23 112.18 58.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.754 0.311 . . . . 0.0 110.501 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.11 115.87 3.7 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.022 2.481 . . . . 0.0 112.213 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -86.22 155.64 20.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.45 -53.6 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.912 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -137.98 168.79 18.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 97.7 mt -128.84 135.09 48.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 111.132 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HD3' HD13 ' A' ' 66' ' ' ILE . 50.8 mtt180 -130.79 134.14 46.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.797 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 69' ' ' TYR . 10.1 tt -125.43 137.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.549 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 m -67.72 147.1 53.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.342 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -86.65 36.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.275 0.56 . . . . 0.0 109.502 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -139.6 -67.57 0.44 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.287 -174.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.7 -19.69 23.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.15 83.43 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.412 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -87.39 128.12 35.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.53 131.1 37.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.437 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.01 148.46 18.14 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.675 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 29.9 p -73.07 140.18 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.934 0.367 . . . . 0.0 110.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.98 164.05 4.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.43 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.598 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.7 p-10 -72.2 -4.63 30.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.412 -175.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.18 -47.22 86.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -78.92 141.33 58.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.149 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.1 -19.48 56.62 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.244 2.629 . . . . 0.0 113.057 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.424 ' HD2' ' HB2' ' A' ' 53' ' ' HIS . 6.7 t60 -66.67 -35.61 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.954 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 59.7 mtmt 42.88 52.35 5.15 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.003 0.814 . . . . 0.0 112.654 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' HIS . 7.6 t-160 -73.19 -16.99 61.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -46.33 26.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.515 ' OG1' ' HB3' ' A' ' 52' ' ' LYS . 17.1 p -77.59 -47.59 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.693 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.75 -33.39 72.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 110.517 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.717 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.14 -44.42 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -28.38 67.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.117 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.81 -55.01 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.764 0.316 . . . . 0.0 111.677 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.0 p -79.35 -40.33 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.94 38.62 6.4 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.998 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -107.57 95.11 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 73.8 Cg_endo -75.94 -20.23 15.24 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 114.041 -170.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.3 mt -103.4 120.14 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.541 0.686 . . . . 0.0 111.683 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.423 HD13 ' HD3' ' A' ' 35' ' ' ARG . 21.2 pt -130.01 137.6 56.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.409 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.25 143.39 33.02 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.051 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.32 110.0 3.22 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.666 ' HH ' ' HG2' ' A' ' 16' ' ' PRO . 22.0 t80 -91.11 -37.77 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -172.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.1 p-10 -79.88 -33.62 0.8 Allowed Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.553 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 10.0 Cg_endo -90.68 122.41 0.86 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.894 1.729 . . . . 0.0 111.697 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.34 50.7 1.29 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.391 2.728 . . . . 0.0 112.459 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 71' ' ' PRO . 39.2 mt-10 -98.36 -51.17 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 89.43 83.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.543 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -154.0 154.23 33.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.674 0.273 . . . . 0.0 110.523 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.07 121.32 5.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.885 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 70.7 t-105 -94.86 131.46 40.74 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.1 t -111.9 102.77 11.0 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CZ ' HD12 ' A' ' 66' ' ' ILE . 42.8 m-85 -43.56 -65.58 0.48 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -174.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.48 -22.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.98 -32.78 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 67.76 26.96 7.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.364 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.02 153.75 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.326 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.9 ttm -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.953 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.575 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 36.6 p90 -104.57 157.88 16.87 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -81.62 135.96 35.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 mt -133.73 17.78 3.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.387 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.52 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.0 p -61.24 -29.7 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.748 -172.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -83.58 -5.23 59.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.268 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -138.23 22.76 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.302 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.2 152.91 36.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.498 . . . . 0.0 112.295 -170.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 124.2 89.86 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.598 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.52 142.27 70.78 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.64 2.227 . . . . 0.0 112.405 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -70.22 125.37 26.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.531 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -73.2 -28.72 62.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.7 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.67 -175.71 38.95 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.912 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.25 112.97 3.57 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.033 2.488 . . . . 0.0 111.557 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 58.3 mt -89.84 126.35 57.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 20.4 Cg_exo -65.43 122.12 9.73 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.721 2.281 . . . . 0.0 111.351 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -103.43 110.29 22.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.11 -13.31 57.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.95 0.405 . . . . 0.0 110.622 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.753 177.675 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.479 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 46.4 t . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.42 0.152 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -55.71 -26.94 47.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.135 0.574 . . . . 0.0 112.4 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.94 -24.06 49.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.231 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -59.97 -28.78 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.121 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -9.57 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.33 -10.78 50.34 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.486 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 65' ' ' ILE . 47.9 pt -101.01 149.49 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -133.78 -179.58 5.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -80.18 104.08 10.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' HA2' ' A' ' 41' ' ' GLY . 16.9 m -98.73 172.0 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.203 -171.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.3 m -102.97 124.67 37.76 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.545 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HG2' ' HH ' ' A' ' 69' ' ' TYR . 38.2 Cg_exo -60.94 114.89 2.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.827 2.351 . . . . 0.0 112.352 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -57.35 -39.53 76.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.9 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.32 167.38 20.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.956 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 HD23 ' HA3' ' A' ' 96' ' ' GLY . 53.3 mt -78.18 -38.83 42.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.638 0.732 . . . . 0.0 109.25 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' HD12 ' A' ' 34' ' ' LEU . . . -127.53 -150.21 7.34 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.704 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 6.7 p -81.62 103.85 11.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.253 0.526 . . . . 0.0 110.17 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.52 52.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.394 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 31.8 tp10 -56.61 -57.82 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.197 0.523 . . . . 0.0 110.6 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.932 0.396 . . . . 0.0 110.722 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.492 HD22 ' HZ3' ' A' ' 31' ' ' TRP . 63.4 mt -71.17 -15.85 62.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.3 ptmt -76.44 -18.47 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.232 -178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.461 HG23 ' HG3' ' A' ' 26' ' ' LYS . 14.3 pt -122.74 -3.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.33 26.52 51.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.825 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -91.27 147.21 35.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 122.67 -0.312 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.95 176.72 9.09 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.683 2.255 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.492 ' HZ3' HD22 ' A' ' 25' ' ' LEU . 15.7 p90 -142.28 164.97 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 t -101.56 -55.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -136.58 156.88 47.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.347 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.484 HD12 ' HA2' ' A' ' 20' ' ' GLY . 92.9 mt -122.69 139.33 54.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.7 mtt180 -125.5 121.2 33.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.487 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -96.46 120.91 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.998 0.904 . . . . 0.0 109.49 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 114.01 10.28 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.443 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 9.6 mmm180 -72.78 4.35 4.17 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.76 -54.18 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.311 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.9 -6.12 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.375 -173.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA2' HG23 ' A' ' 14' ' ' VAL . . . 77.59 17.32 79.15 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.662 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 137.82 33.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.88 169.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.05 149.64 14.08 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 p -76.48 138.29 40.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.73 0.3 . . . . 0.0 110.296 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.8 t -62.43 167.39 4.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.857 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.529 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 2.1 p30 -65.81 -9.57 29.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.401 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.9 -24.64 66.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.191 173.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -94.4 141.09 23.04 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.537 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.52 -31.76 50.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.323 2.682 . . . . 0.0 113.361 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -67.89 -43.69 78.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.602 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 48.6 mtmt 54.86 42.9 30.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.299 0.374 . . . . 0.0 111.194 -177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -68.33 -23.8 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.219 -174.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.74 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.6 0.238 . . . . 0.0 111.562 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -79.72 -43.03 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.801 0.334 . . . . 0.0 110.868 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -61.47 -34.51 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.834 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -56.81 -42.28 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.055 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 22.6 t80 -62.3 -40.63 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.981 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -65.06 -26.93 68.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.826 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 -46.08 8.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.199 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.9 p -93.78 -23.64 18.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.01 50.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.885 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -102.01 97.91 9.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.473 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.5 Cg_endo -84.33 9.56 4.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.198 2.598 . . . . 0.0 115.113 -166.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 11' ' ' ILE . 42.4 mt -131.91 127.71 58.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 111.957 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 77' ' ' TRP . 2.6 pp -126.85 154.78 37.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.091 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.689 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.6 tt0 -118.01 141.52 48.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.069 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.98 110.89 3.67 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 22.1 t80 -95.91 -31.09 13.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.631 0.253 . . . . 0.0 111.65 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.565 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.2 p-10 -81.6 -35.24 0.75 Allowed Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.059 -0.495 . . . . 0.0 112.2 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 1.5 Cg_endo -83.9 123.16 3.14 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.799 1.666 . . . . 0.0 110.888 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 11.9 Cg_exo -71.68 39.67 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.287 2.658 . . . . 0.0 112.932 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -98.33 -53.14 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.664 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.11 84.66 1.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.031 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 36.2 p-90 -147.13 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.39 143.43 14.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.141 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.489 ' HB3' HD12 ' A' ' 66' ' ' ILE . 48.3 t-105 -119.84 128.29 53.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.31 106.75 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -51.7 -61.38 2.29 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -65.37 -21.35 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 2.8 m-20 -89.61 -30.62 18.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 110.179 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.72 28.61 17.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.627 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 81' ' ' ASP . 33.7 m -110.51 144.3 18.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.578 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.461 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 26.7 ttt -110.85 137.64 48.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.037 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.32 150.05 42.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 156.89 22.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.211 0.529 . . . . 0.0 110.755 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 90' ' ' ARG . 90.4 mt -126.6 45.6 2.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.532 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -47.51 -43.56 24.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -103.86 5.93 36.16 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HD2' HD21 ' A' ' 87' ' ' LEU . 60.5 mtt180 -115.81 -9.51 11.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.59 0.233 . . . . 0.0 110.398 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.689 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ptm -56.75 138.9 52.34 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.637 -170.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -93.96 116.21 66.15 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.456 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.28 146.96 52.26 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.242 1.962 . . . . 0.0 110.662 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.498 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 6.1 p-80 -62.15 130.64 46.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 110.445 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.47 -0.44 56.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.239 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.47 ' HA3' HD23 ' A' ' 19' ' ' LEU . . . -159.35 174.69 36.28 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.68 114.04 3.83 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.531 2.154 . . . . 0.0 112.139 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.5 mt -94.51 111.4 53.72 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.98 124.93 16.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.921 2.414 . . . . 0.0 112.363 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 100' ' ' ARG . 8.1 tmm_? -84.14 101.65 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.19 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -87.13 -26.01 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.036 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.012 179.634 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.479 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 29.3 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.32 -18.26 60.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.42 -24.86 61.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -58.69 -28.9 38.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 178.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.61 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.76 -12.55 59.17 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.688 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 65' ' ' ILE . 46.5 pt -100.17 152.58 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.01 0.433 . . . . 0.0 110.526 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.62 177.49 7.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.096 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -77.91 104.69 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -93.99 176.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.242 -174.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.6 m -119.73 122.83 28.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 175.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 32.3 Cg_exo -60.69 119.7 7.01 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.827 2.352 . . . . 0.0 112.18 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -79.26 -22.64 44.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.07 148.35 50.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 19' ' ' LEU . 6.5 mp -79.06 -68.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.66 -152.79 28.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 45.9 t -82.93 107.65 15.68 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.516 -0.402 . . . . 0.0 110.806 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -45.16 -45.51 11.5 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.891 0.744 . . . . 0.0 111.517 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 tp10 -58.35 -59.15 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.106 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 29' ' ' SER . 63.2 m -61.33 -35.87 78.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 92.0 mt -68.52 -21.23 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 14.2 ptmt -71.41 -20.56 62.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.597 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.82 -6.78 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.473 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.35 44.04 7.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.977 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 42.2 t -110.19 147.78 36.98 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.42 174.74 12.29 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.411 2.074 . . . . 0.0 112.068 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -140.48 -179.65 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.416 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.08 -56.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 40.9 m80 -141.35 163.44 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.493 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 92.4 mt -117.56 138.97 51.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.098 0.475 . . . . 0.0 111.256 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD2' HD13 ' A' ' 66' ' ' ILE . 19.6 mmt85 -121.34 115.44 22.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.272 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.3 tt -96.35 128.58 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.888 0.851 . . . . 0.0 110.068 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -77.99 117.01 18.9 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.907 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.9 mmm180 -72.26 -0.95 13.48 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 m -95.05 -51.65 4.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.843 0.354 . . . . 0.0 111.41 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.8 p -117.69 1.36 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.368 -172.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.18 20.03 77.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.863 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -94.9 134.3 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.822 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.61 139.26 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.596 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.51 164.18 25.14 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.0 p -73.43 143.58 46.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.826 0.313 . . . . 0.0 110.236 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 34.5 t -64.59 170.34 4.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.7 p-10 -66.69 -16.52 64.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.708 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.995 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -83.7 133.24 46.89 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.07 -33.65 15.52 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 124.319 3.346 . . . . 0.0 114.51 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 23.7 m-70 -66.86 -38.0 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.047 -176.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 53.7 mtmt 43.85 44.44 5.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 0.0 112.552 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -75.19 -16.2 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.782 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.6 83.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.796 0.331 . . . . 0.0 110.594 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -71.71 -42.46 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.4 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -61.81 -30.06 70.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.151 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.84 -35.59 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.299 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.14 -27.56 64.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.558 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.69 -52.92 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.81 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.4 p -92.08 -40.66 10.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.66 35.34 6.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.659 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -104.97 102.74 37.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.2 Cg_endo -83.62 -0.3 9.7 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.124 2.549 . . . . 0.0 115.215 -166.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 HG21 HD11 ' A' ' 11' ' ' ILE . 49.5 mt -124.21 126.77 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.512 0.672 . . . . 0.0 112.349 -176.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.458 HD13 ' HD2' ' A' ' 35' ' ' ARG . 28.3 pt -127.72 158.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.151 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HB3' HG23 ' A' ' 36' ' ' ILE . 38.3 tt0 -125.12 151.45 45.71 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.007 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.08 108.36 2.47 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.031 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -96.1 -37.37 10.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.0 110.645 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.607 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 15.8 t70 -71.34 -46.81 13.74 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 176.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 33.2 Cg_endo -98.55 90.01 0.06 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.538 2.158 . . . . 0.0 110.431 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 6.2 Cg_exo -78.13 49.34 2.96 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.46 2.773 . . . . 0.0 112.6 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -84.06 -3.93 58.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.668 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 77.86 68.93 1.45 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.484 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.573 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 60.4 p-90 -140.58 143.11 35.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 178.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.37 137.92 13.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -111.08 130.86 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -111.2 114.49 27.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -54.03 -65.07 0.63 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -172.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG21 ' OD1' ' A' ' 81' ' ' ASP . 15.9 m -64.92 -20.16 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -89.27 -34.81 16.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.133 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 63.96 28.74 14.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.273 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 23.3 m -110.68 148.65 13.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.47 178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.4 ttp -120.22 123.74 43.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.522 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -125.94 166.78 16.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -84.16 136.1 34.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.196 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.5 mt -134.73 20.35 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.167 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.499 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 47.4 t -57.77 -33.44 68.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 111.745 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -94.63 6.43 48.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.848 0.356 . . . . 0.0 110.712 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -138.79 16.38 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -72.78 168.93 17.79 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.351 0.596 . . . . 0.0 112.49 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -88.53 129.28 49.72 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.03 122.59 9.2 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.225 1.95 . . . . 0.0 111.439 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -61.32 144.4 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.663 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -87.44 -33.35 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.77 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.64 -169.81 22.52 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.184 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.48 143.79 35.16 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.812 2.341 . . . . 0.0 112.055 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.2 mt -118.46 126.72 27.01 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.213 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.74 108.44 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 111.736 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -77.23 111.31 12.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.937 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -100.72 -22.7 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.0 179.049 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -59.24 -24.84 63.52 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.426 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 34.9 m170 -62.79 -25.11 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.753 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -64.45 -27.57 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.981 0.42 . . . . 0.0 110.72 -177.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 -0.59 18.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 110.961 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.29 11.84 24.01 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.485 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.753 HG12 ' O ' ' A' ' 8' ' ' VAL . 28.6 pt -100.36 152.23 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.167 0.508 . . . . 0.0 110.432 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -132.75 158.98 41.04 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.333 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 58.4 m -74.04 104.47 4.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' HA2' ' A' ' 41' ' ' GLY . 20.3 m -98.93 175.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.533 -170.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 38.0 m -109.2 126.95 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.111 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 24.6 Cg_exo -63.45 123.62 12.4 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.876 2.384 . . . . 0.0 112.157 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.9 m -63.57 -28.66 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 172.49 16.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.549 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 8.1 mp -65.82 -54.9 20.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.07 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.23 -144.43 12.1 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.436 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.76 122.18 22.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.612 0.244 . . . . 0.0 110.404 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.57 -44.48 72.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.737 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 42.4 tt0 -61.42 -45.02 96.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 29' ' ' SER . 92.7 m -63.92 -39.06 93.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.859 0.361 . . . . 0.0 111.072 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.97 -17.57 62.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 9.9 ptmt -85.81 -14.04 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.925 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -126.44 -10.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.85 48.84 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.428 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.558 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 29.2 t -109.1 145.72 32.35 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -80.32 -176.03 3.0 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.658 2.239 . . . . 0.0 112.523 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CD1' HD23 ' A' ' 34' ' ' LEU . 5.4 p90 -158.87 162.58 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.486 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.498 HG21 HG23 ' A' ' 102' ' ' VAL . 46.3 t -102.12 -64.81 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 175.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 35.5 m80 -123.39 158.13 31.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.93 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 31' ' ' TRP . 2.9 mm? -119.85 132.15 55.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.614 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 98.9 mtt180 -117.64 116.87 27.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.21 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' A' ' 67' ' ' GLU . 15.8 tt -96.24 119.12 43.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 122.192 0.996 . . . . 0.0 109.394 175.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.43 109.8 6.38 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.465 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 14.6 mmm-85 -69.36 6.66 0.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -101.2 -49.96 3.92 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.13 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.5 p -118.34 -3.25 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.742 0.306 . . . . 0.0 111.49 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 14' ' ' VAL . . . 81.26 8.35 87.33 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 114.389 174.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.432 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 11.1 t-80 -88.15 122.26 31.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 117.683 0.741 . . . . 0.0 109.81 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.49 130.58 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.326 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.08 156.51 22.6 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 4.6 p -73.42 143.34 46.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.915 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 35.6 t -66.54 171.37 5.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.077 -178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 7.4 p-10 -76.87 0.25 21.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.51 -22.41 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.406 0.622 . . . . 0.0 109.776 171.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 m -99.4 144.57 28.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.014 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.35 -29.7 39.99 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.543 2.828 . . . . 0.0 113.355 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.449 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.1 m-70 -62.54 -49.1 76.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.952 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 51.9 mtmt 51.69 39.37 25.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.091 0.472 . . . . 0.0 111.358 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 -18.77 63.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.53 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . . . -64.11 -40.78 96.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.476 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -79.65 -40.03 30.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -56.73 -37.2 70.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.6 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.46 -44.65 96.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.406 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.16 -38.16 90.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.72 -31.78 72.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.4 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.13 -58.39 2.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -84.3 -30.08 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.61 41.53 12.9 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.816 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -107.0 100.28 31.23 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 84.3 Cg_endo -82.09 1.95 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.97 2.447 . . . . 0.0 114.772 -167.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -125.76 126.89 70.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.462 0.649 . . . . 0.0 111.897 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.61 155.59 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.861 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 36' ' ' ILE . 42.2 tt0 -117.34 140.94 48.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.034 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.85 106.72 1.84 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 11.2 t80 -93.24 -34.54 13.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.687 0.279 . . . . 0.0 111.409 -172.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.6 p-10 -73.62 -35.72 2.69 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.819 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.533 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 12.3 Cg_endo -92.7 117.67 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 121.99 1.794 . . . . 0.0 111.355 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.9 Cg_exo -70.81 25.17 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.393 2.729 . . . . 0.0 113.034 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 71' ' ' PRO . 35.8 mm-40 -77.79 -35.86 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.591 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 84.43 0.59 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.293 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -143.58 153.72 42.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.723 0.296 . . . . 0.0 110.493 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.33 135.52 10.3 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.123 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.501 ' HB3' HD11 ' A' ' 66' ' ' ILE . 66.0 t-105 -110.62 128.19 55.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.4 t -106.58 110.52 22.74 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -53.16 -60.15 3.66 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.05 -20.97 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -87.98 -38.96 15.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.169 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 65.64 28.69 11.16 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.825 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -115.63 136.38 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.867 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -100.69 124.5 46.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.944 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -117.91 171.06 8.32 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 146.6 24.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.96 0.41 . . . . 0.0 110.263 -175.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.4 mt -137.94 19.43 2.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.002 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -54.82 -38.74 67.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.214 -172.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.06 -21.13 54.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.815 0.341 . . . . 0.0 111.328 -175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -125.98 15.23 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -170.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 ptm -70.26 162.46 28.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 m -84.21 115.24 59.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.29 139.06 81.01 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.447 2.098 . . . . 0.0 111.363 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.474 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 36.9 p-80 -63.55 136.76 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.658 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 19' ' ' LEU . 32.4 p-10 -85.18 -7.45 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.21 174.16 46.8 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.69 115.98 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.813 2.342 . . . . 0.0 111.864 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.6 mt -89.9 114.95 62.67 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.86 118.53 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.357 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.64 113.35 17.72 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.09 -46.99 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.291 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.498 HG23 HG21 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 C--O 1.245 0.85 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.33 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.487 ' O ' HG21 ' A' ' 8' ' ' VAL . 42.3 t . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.523 0.201 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -56.8 -26.54 58.19 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -62.49 -26.32 68.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.193 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 11' ' ' ILE . 17.1 t -67.7 -30.87 50.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.15 0.5 . . . . 0.0 110.787 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.64 -6.57 41.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.546 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.84 0.19 22.97 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.157 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' ' 8' ' ' VAL . 40.1 pt -91.82 152.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 117.173 0.487 . . . . 0.0 111.184 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -112.55 176.67 4.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.47 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 29.8 m -95.83 123.12 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.0 m -110.38 167.28 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.345 0.593 . . . . 0.0 112.339 -170.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 m -103.04 125.16 36.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.48 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.656 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 31.8 Cg_exo -58.65 115.21 2.39 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.793 2.329 . . . . 0.0 112.77 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -56.52 -35.26 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.318 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.99 176.02 9.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.96 -44.57 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.806 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.23 -148.56 7.95 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -72.32 91.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.929 0.364 . . . . 0.0 110.133 175.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.69 -38.08 14.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.604 0.716 . . . . 0.0 110.428 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 69.6 tt0 -61.37 -65.52 0.68 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.449 -1.251 . . . . 0.0 111.521 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.14 -30.08 71.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.68 -27.2 68.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 19.9 ptmt -69.97 -22.8 63.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.777 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.531 HG23 ' HG3' ' A' ' 26' ' ' LYS . 21.8 pt -116.84 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.447 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.01 37.3 91.98 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.761 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -105.04 142.17 24.1 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.26 -169.05 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.554 2.169 . . . . 0.0 112.178 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.1 p90 -156.72 167.33 30.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.895 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 33' ' ' HIS . 22.3 t -96.33 -56.95 4.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' HG11 ' A' ' 32' ' ' VAL . 95.4 m-70 -133.07 176.59 8.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.362 176.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 86.6 mt -128.83 137.84 51.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -174.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HD3' HD12 ' A' ' 66' ' ' ILE . 96.8 mtt180 -139.47 146.73 40.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 67' ' ' GLU . 9.4 tt -135.43 136.07 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.7 m -64.03 147.98 50.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.072 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HD3' ' HB2' ' A' ' 67' ' ' GLU . 9.4 mmm180 -85.9 30.35 0.67 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 170.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -140.06 -74.58 0.35 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.582 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 17.7 p -85.0 -6.53 59.33 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.68 12.1 63.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.068 -0.587 . . . . 0.0 114.116 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -94.28 135.49 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.347 0.574 . . . . 0.0 110.442 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.98 139.05 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.506 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 166.63 26.29 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.57 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 18.7 p -78.35 140.01 38.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 m -80.59 178.55 8.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.334 -173.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HB3' HG21 ' A' ' 55' ' ' THR . 12.2 p-10 -77.83 -11.36 59.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 0.0 110.317 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.51 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.4 p30 -77.01 -22.28 53.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 171.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -91.42 146.77 33.97 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.772 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 -40.66 17.61 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.997 3.131 . . . . 0.0 114.707 -173.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 7.9 m170 -67.92 -36.97 81.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 52' ' ' LYS . 9.7 mtmp? 49.35 43.99 23.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.118 0.567 . . . . 0.0 110.998 -175.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -79.14 -26.76 42.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.209 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.92 78.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 47' ' ' ASP . 22.3 p -73.79 -47.82 36.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.301 0.572 . . . . 0.0 110.746 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.64 -35.93 82.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.88 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -62.07 -36.44 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.538 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -62.1 -43.01 99.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.016 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -64.82 -34.09 77.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.54 -51.7 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.2 p -99.0 -26.44 14.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 47.33 5.81 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.363 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.402 ' CE1' ' HB3' ' A' ' 40' ' ' CYS . 44.5 m170 -110.9 94.72 21.13 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.07 -6.31 10.34 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.316 2.677 . . . . 0.0 114.752 -168.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.494 HG22 HD12 ' A' ' 11' ' ' ILE . 31.3 mt -122.75 128.72 75.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 111.584 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 77' ' ' TRP . 5.1 pt -124.85 138.27 54.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.456 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 7.3 tp10 -89.37 148.95 23.22 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.219 175.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.04 102.81 1.95 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.455 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.656 ' HE2' ' HB3' ' A' ' 16' ' ' PRO . 12.4 t80 -86.35 -33.38 20.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.973 0.416 . . . . 0.0 110.074 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.539 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -69.07 -50.97 19.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.757 175.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.8 Cg_endo -103.44 84.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.874 2.383 . . . . 0.0 111.345 166.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 4.0 Cg_exo -73.42 73.51 3.35 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.818 2.345 . . . . 0.0 111.956 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.28 -10.19 15.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.584 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.24 82.1 1.25 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.656 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.512 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 63.0 p-90 -158.39 151.99 23.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.963 0.411 . . . . 0.0 110.096 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 66' ' ' ILE . . . -125.84 134.6 8.77 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.771 -176.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.535 ' HB3' HG13 ' A' ' 66' ' ' ILE . 68.8 t-105 -101.73 127.63 48.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -100.76 105.76 17.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -46.67 -71.28 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.29 -24.78 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -173.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 3.9 m-20 -83.7 -31.18 26.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.001 0.429 . . . . 0.0 110.338 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.98 28.41 14.42 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.25 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.72 147.12 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.668 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -106.82 150.77 26.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.462 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 23.7 p90 -146.47 168.7 20.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.46 147.03 23.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.021 0.438 . . . . 0.0 110.439 -178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.26 35.07 3.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.602 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -55.22 -38.26 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.698 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.31 -20.77 62.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -127.64 24.26 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.767 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -59.83 141.94 54.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 67' ' ' GLU . 41.9 m -101.14 111.07 62.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.28 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.88 160.7 33.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.766 2.311 . . . . 0.0 112.39 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -66.62 151.79 46.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 41.2 t-20 -69.88 -53.88 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.488 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.48 -156.93 8.14 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.962 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.04 113.52 2.42 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.982 2.455 . . . . 0.0 112.104 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.1 mt -94.01 127.99 42.95 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.678 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.08 103.95 0.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.514 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -82.47 128.5 34.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.558 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.39 -57.52 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.245 0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 178.289 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 30.9 p . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -31.26 12.31 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.49 -23.91 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.59 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -61.5 -29.34 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -178.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.47 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.888 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.57 -32.35 11.71 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.741 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 8' ' ' VAL . 48.4 pt -75.8 152.61 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 111.395 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.05 174.28 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.405 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 119.16 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.417 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 16.4 m -107.87 156.26 8.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.62 -172.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -96.25 127.11 41.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.168 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HG3' ' HH ' ' A' ' 69' ' ' TYR . 31.4 Cg_endo -64.56 122.98 11.03 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.591 2.194 . . . . 0.0 111.967 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -66.89 -32.49 73.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 -178.07 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.763 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.26 -62.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.484 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' HA3' ' CZ2' ' A' ' 31' ' ' TRP . . . -109.05 -152.87 15.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.405 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.9 112.98 4.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.13 -46.23 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.965 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 41.0 tt0 -60.55 -46.05 91.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.462 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 29' ' ' SER . 71.3 m -65.63 -30.25 70.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.685 0.279 . . . . 0.0 111.226 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.7 -22.77 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.9 ptmt -73.0 -20.36 61.03 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.183 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 26' ' ' LYS . 17.8 pt -125.62 -5.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.91 47.14 9.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.754 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 47.1 t -101.27 141.62 22.97 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 173.1 14.15 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.425 2.083 . . . . 0.0 112.12 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.44 ' CZ2' ' HA3' ' A' ' 20' ' ' GLY . 15.0 p90 -149.56 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.212 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.8 t -92.36 -68.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 39.5 m80 -126.74 146.73 50.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 0.0 110.285 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 ' CD1' ' HA2' ' A' ' 20' ' ' GLY . 88.0 mt -96.96 134.15 40.7 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.53 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.7 mtt180 -127.58 118.21 23.5 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 HD12 HG22 ' A' ' 92' ' ' THR . 12.4 tt -96.04 124.12 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.055 0.931 . . . . 0.0 109.808 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.4 t -72.79 112.94 9.29 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.749 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 10.2 mmm180 -72.92 8.69 1.43 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -171.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 m -107.94 -35.87 6.51 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.616 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.27 0.71 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.539 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 74.56 10.98 82.97 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.866 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -94.76 143.06 26.75 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.748 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.02 124.92 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.112 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.96 150.88 18.15 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.382 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 p -73.05 126.32 29.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 26.3 p -68.69 177.12 2.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.101 -174.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.552 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -73.68 -6.36 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.726 179.062 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -74.13 -22.66 59.36 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 t -90.73 147.6 36.54 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.19 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.56 -9.95 22.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.845 2.364 . . . . 0.0 112.627 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -80.61 -57.75 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.941 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 35.3 mtmt 58.46 41.37 22.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.649 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -73.23 -24.1 60.45 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.37 84.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 p -68.0 -45.94 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -66.63 -24.89 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.589 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.07 -34.52 78.23 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.869 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.79 -44.92 91.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.66 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -64.35 -26.87 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.869 0.366 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -56.78 3.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.989 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -92.1 -21.34 20.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.4 41.06 31.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.996 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.67 101.52 43.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.7 Cg_endo -81.45 -10.54 12.11 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.908 2.405 . . . . 0.0 115.285 -166.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.65 126.96 74.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.545 0.688 . . . . 0.0 112.397 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.51 HD11 ' OH ' ' A' ' 79' ' ' TYR . 31.7 pt -128.0 142.86 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.984 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' HG23 ' A' ' 36' ' ' ILE . 30.9 tt0 -101.07 145.93 28.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.29 100.24 1.14 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 174.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.705 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.3 t80 -83.09 -39.46 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.934 0.397 . . . . 0.0 110.58 -173.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 17.5 t70 -76.89 -52.8 1.91 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.802 178.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 31.7 Cg_exo -59.42 119.48 6.74 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.697 1.598 . . . . 0.0 111.961 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 23.1 Cg_exo -66.06 -1.8 5.83 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.251 2.634 . . . . 0.0 112.69 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 35.0 mt-10 -62.1 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.64 79.78 0.65 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.966 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 29.6 p-90 -138.29 165.63 26.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.823 0.344 . . . . 0.0 111.077 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.32 136.32 9.75 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.831 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -104.83 132.33 51.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.0 t -115.23 117.35 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.51 ' OH ' HD11 ' A' ' 66' ' ' ILE . 86.8 m-85 -58.07 -67.24 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -63.09 -21.35 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.81 -34.89 20.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 64.45 27.23 13.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.665 -175.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG23 ' CB ' ' A' ' 81' ' ' ASP . 28.1 m -114.71 142.08 28.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.513 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.2 ttm -108.79 113.22 25.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -110.81 152.49 26.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.89 135.09 43.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.21 21.01 4.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.214 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -59.69 -33.8 72.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 111.916 -171.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.05 -20.15 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.174 0.511 . . . . 0.0 110.746 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 90' ' ' ARG . 44.7 mtt180 -122.92 22.58 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.0 ptm -84.2 167.21 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.317 0.58 . . . . 0.0 112.017 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.467 HG22 HD12 ' A' ' 36' ' ' ILE . 27.9 m -87.07 127.68 58.52 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.479 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_exo -66.41 136.42 43.21 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.81 2.34 . . . . 0.0 111.887 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.705 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 42.2 p-80 -78.64 129.56 34.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.21 6.23 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.533 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.36 173.75 37.22 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.72 109.54 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.628 2.219 . . . . 0.0 111.434 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 64.3 mt -80.65 131.21 61.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.365 -176.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 15.2 Cg_exo -68.8 107.9 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.825 2.35 . . . . 0.0 111.989 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -104.11 111.59 24.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -83.72 -25.66 30.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.082 -171.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.523 -175.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 p . . . . . 0 CA--C 1.527 0.072 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -57.61 -26.08 61.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 33.2 m170 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.3 176.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.83 -27.34 40.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-O 121.112 0.482 . . . . 0.0 110.393 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.13 -3.84 41.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.8 -3.55 39.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.863 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 pt -88.07 151.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -117.99 167.49 11.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 m -80.38 99.43 7.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.433 0.635 . . . . 0.0 109.681 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -95.8 166.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.805 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 m -114.37 129.59 24.75 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.235 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.47 131.8 48.37 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.099 2.533 . . . . 0.0 112.927 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.621 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 1.2 m -61.89 -40.65 96.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.62 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 -179.08 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.536 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.53 -47.99 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.453 ' HA2' HD11 ' A' ' 34' ' ' LEU . . . -111.66 -165.0 17.85 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.716 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.729 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 42.8 t -78.85 104.15 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.99 -43.02 50.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.533 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 45.4 tt0 -52.88 -57.4 10.39 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.97 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 27.9 p -70.39 -28.26 64.95 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.199 -0.313 . . . . 0.0 111.146 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.4 -28.18 66.68 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.2 ptmt -69.05 -23.84 64.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -118.93 2.43 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 0.0 111.232 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.39 46.86 61.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.339 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.74 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 43.8 t -95.82 123.6 55.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 12.7 Cg_exo -69.18 129.59 18.49 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 0.0 112.349 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.451 ' HE3' ' HG ' ' A' ' 24' ' ' CYS . 21.0 p90 -94.77 161.35 14.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.275 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.76 -51.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.158 0.504 . . . . 0.0 109.821 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' HB3' ' NH2' ' A' ' 35' ' ' ARG . 87.5 m-70 -138.37 150.49 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.347 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 HD11 ' HA2' ' A' ' 20' ' ' GLY . 89.6 mt -125.79 135.45 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -127.14 140.12 52.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.014 0.435 . . . . 0.0 110.343 175.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -102.74 124.8 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.75 109.58 7.37 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.358 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.16 1.87 3.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -95.86 -54.64 3.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.06 0.457 . . . . 0.0 111.177 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.5 -16.85 14.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.105 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.01 13.8 57.19 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.62 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.621 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 6.2 t-80 -91.09 132.75 35.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.353 0.576 . . . . 0.0 110.479 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.9 139.91 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.536 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.75 150.81 22.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.121 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 8.7 p -73.59 148.65 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.9 175.63 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.794 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.0 p-10 -70.01 -20.35 63.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.82 -24.24 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.355 0.598 . . . . 0.0 110.157 175.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 m -86.74 148.94 47.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.492 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.56 4.23 0.88 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.246 2.63 . . . . 0.0 114.435 -170.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.8 m-70 -109.86 -27.57 9.21 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.344 . . . . 0.0 111.695 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 44.0 mtmt 49.62 41.63 21.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.043 0.449 . . . . 0.0 110.757 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -69.31 -21.9 63.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.311 -171.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.78 -46.56 30.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.327 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 p -72.05 -45.31 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.34 -39.57 67.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.812 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.86 -42.71 97.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.269 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.75 -42.02 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -64.92 -27.7 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.47 -44.64 11.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -98.07 -31.95 11.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.55 35.47 13.87 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.797 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -103.21 98.73 12.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.7 Cg_endo -84.05 7.14 5.36 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.977 2.451 . . . . 0.0 115.077 -166.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.7 124.91 60.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.396 0.617 . . . . 0.0 112.019 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 35' ' ' ARG . 38.6 pt -126.33 141.31 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.935 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB3' HG21 ' A' ' 36' ' ' ILE . 37.1 tt0 -103.05 143.87 32.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.162 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.52 104.71 1.19 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.644 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -93.63 -31.26 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.529 0.204 . . . . 0.0 111.051 -175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.566 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.9 p-10 -79.28 -34.63 0.94 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.907 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 33.8 Cg_endo -99.01 109.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.357 2.038 . . . . 0.0 112.084 172.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.76 34.19 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 123.323 2.682 . . . . 0.0 113.056 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.8 mt-10 -78.91 -29.21 44.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.336 0.588 . . . . 0.0 109.789 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.86 76.8 1.19 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 57.3 p-90 -152.08 158.62 43.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 177.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.6 145.12 16.8 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.926 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -109.23 132.32 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -112.11 110.29 20.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -52.21 -60.13 3.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG21 ' OD1' ' A' ' 81' ' ' ASP . 19.0 m -66.99 -20.53 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -90.57 -31.9 16.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 110.326 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 68.81 20.84 7.91 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.778 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.73 145.92 18.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.903 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.0 ttp -110.5 107.96 17.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.56 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -103.28 167.59 9.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -175.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.29 132.41 33.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.098 0.475 . . . . 0.0 111.448 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.0 mt -126.7 27.06 6.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.98 -15.26 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.604 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -103.48 -5.86 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.514 0.197 . . . . 0.0 111.28 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -132.64 8.48 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.623 -176.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -60.24 145.07 48.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.299 0.571 . . . . 0.0 112.17 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.9 m -71.42 132.74 85.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.299 -176.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.5 Cg_exo -66.55 117.45 4.74 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.658 2.239 . . . . 0.0 111.58 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -61.84 141.76 57.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.45 -1.09 57.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.54 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.17 179.15 42.88 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.161 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.92 115.7 3.84 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.253 2.635 . . . . 0.0 111.77 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.94 127.88 67.81 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 113.47 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.685 2.256 . . . . 0.0 111.733 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.89 106.65 18.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.31 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -84.41 -29.05 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 177.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.178 -179.313 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -56.46 -29.49 61.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.852 0.358 . . . . 0.0 111.88 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -64.1 -24.61 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.515 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -62.2 -28.25 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.76 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.11 0.85 8.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.703 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.89 7.45 13.13 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.099 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 8' ' ' VAL . 32.1 pt -101.58 146.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.225 0.513 . . . . 0.0 111.134 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -132.54 172.49 12.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.83 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -80.36 99.63 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 m -91.14 157.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.236 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -83.17 123.89 76.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.241 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.8 119.21 6.22 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.678 2.252 . . . . 0.0 112.107 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -75.77 -28.43 58.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.9 162.44 35.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.963 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD23 ' HA3' ' A' ' 96' ' ' GLY . 86.9 mt -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.517 ' HA2' HD12 ' A' ' 34' ' ' LEU . . . -147.89 -128.23 1.77 Allowed Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.335 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -88.54 105.07 17.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -38.65 84.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.09 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 44.0 tt0 -67.82 -46.01 73.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' SER . 83.2 m -58.61 -33.54 70.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.01 -15.89 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.1 ptmt -77.69 -22.43 50.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 -178.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 HG21 ' HG3' ' A' ' 26' ' ' LYS . 26.6 pt -123.23 1.04 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.597 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.19 37.84 54.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.279 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 36.8 t -88.49 129.7 48.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.651 0.262 . . . . 0.0 110.425 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.43 139.39 20.67 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.522 2.148 . . . . 0.0 112.221 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.405 ' CE2' HD11 ' A' ' 34' ' ' LEU . 15.0 p90 -107.97 174.38 5.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.617 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 40.2 t -104.68 -59.04 3.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.35 157.81 45.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.68 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA2' ' A' ' 20' ' ' GLY . 91.7 mt -128.04 146.99 50.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.812 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.741 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -135.4 134.34 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.138 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.7 tt -97.61 122.15 48.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.862 0.839 . . . . 0.0 109.322 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.1 109.19 9.56 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.144 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.1 6.41 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 m -102.07 -33.86 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.484 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.53 -17.64 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.841 -173.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.99 9.1 59.88 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.507 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -88.21 127.53 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.259 -0.553 . . . . 0.0 109.889 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.3 t -95.19 136.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.78 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.51 161.99 27.33 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.932 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' HA ' HD21 ' A' ' 34' ' ' LEU . 28.3 p -76.14 145.2 40.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 74.1 m -72.73 -178.78 2.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.847 0.356 . . . . 0.0 111.354 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.21 -32.88 73.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.98 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.617 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -56.82 -32.02 65.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.822 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 15.3 m -86.02 136.61 36.0 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.142 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.45 -26.0 60.89 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.482 2.788 . . . . 0.0 114.302 -171.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -80.13 -14.06 58.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.27 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 37.59 54.68 1.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -76.18 -16.0 59.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.141 -0.349 . . . . 0.0 111.321 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.741 ' HA ' ' CZ ' ' A' ' 35' ' ' ARG . . . -69.18 -47.5 64.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.283 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -76.08 -49.81 16.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.572 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -62.39 -36.92 83.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.64 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -63.33 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.781 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.49 -44.84 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -70.72 -27.53 64.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.29 -43.36 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.183 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.3 p -103.56 -37.1 7.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.71 44.71 4.79 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.362 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -114.91 99.07 51.6 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.4 Cg_endo -83.79 0.82 9.19 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.963 2.442 . . . . 0.0 115.026 -167.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.66 130.54 72.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.57 0.7 . . . . 0.0 112.058 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 HG23 ' HE ' ' A' ' 35' ' ' ARG . 42.9 pt -131.59 155.26 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.196 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 38.7 tt0 -117.21 142.68 46.74 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.97 102.45 0.85 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.844 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.2 t80 -88.18 -30.85 19.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 0.0 110.434 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -79.32 -54.93 0.94 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.36 176.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 73' ' ' GLU . 41.7 Cg_endo -68.43 119.8 6.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.605 1.537 . . . . 0.0 111.899 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.68 36.99 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.166 2.577 . . . . 0.0 113.0 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.7 mt-10 -98.83 -37.56 9.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.55 75.47 0.89 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.022 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.441 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 41.0 p-90 -139.38 159.76 41.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.754 0.312 . . . . 0.0 110.637 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.65 141.11 14.81 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.283 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -112.84 135.0 54.09 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 5.8 t -112.28 111.75 22.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.451 ' HH ' HD12 ' A' ' 66' ' ' ILE . 78.3 m-85 -52.74 -63.05 1.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -170.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.64 -21.55 27.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.535 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.29 -37.8 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.025 0.44 . . . . 0.0 110.121 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 66.65 22.05 10.52 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.638 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -105.76 137.84 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.07 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.0 ttm -107.51 129.63 54.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.806 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -129.68 151.06 50.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 143.54 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.165 0.507 . . . . 0.0 110.643 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -126.46 24.04 6.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.656 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -53.93 -31.0 48.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.53 -20.8 39.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.752 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 90' ' ' ARG . 50.7 mtt180 -118.46 12.02 13.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.571 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.9 ptm -65.13 142.71 58.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.241 0.543 . . . . 0.0 112.299 -168.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 4.2 m -84.47 120.4 74.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.401 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 92' ' ' THR . 29.2 Cg_endo -63.91 134.76 44.78 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.384 2.056 . . . . 0.0 111.449 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.534 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 9.3 p80 -72.78 125.09 26.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.61 13.93 7.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.683 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.482 ' HA3' HD23 ' A' ' 19' ' ' LEU . . . -165.92 168.19 39.58 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.803 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.53 93.14 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.001 2.467 . . . . 0.0 111.07 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 48.1 mt -75.85 118.11 68.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -175.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 13.0 Cg_exo -69.65 104.91 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.938 2.425 . . . . 0.0 112.737 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -80.52 118.34 22.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.38 -29.7 16.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.496 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.371 -179.042 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.6 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.41 -23.13 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 31.4 m170 -58.33 -25.62 62.15 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 174.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.85 -27.33 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.042 -176.598 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -6.22 35.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.717 0.294 . . . . 0.0 111.608 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.05 -1.08 45.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.737 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 8' ' ' VAL . 35.0 pt -101.28 152.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.686 0.279 . . . . 0.0 110.541 178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 -175.71 3.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.178 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 m -81.82 101.46 10.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 37' ' ' CYS . 27.5 m -95.84 165.16 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 m -121.34 127.99 25.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.881 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.74 142.34 35.5 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.48 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -111.42 8.21 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.13 145.82 27.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.37 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD22 ' HA3' ' A' ' 96' ' ' GLY . 83.0 mt -69.23 -49.3 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.081 0.467 . . . . 0.0 110.435 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.32 -142.04 4.94 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.336 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 53.9 t -74.48 105.12 5.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.351 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -46.4 -44.92 17.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.797 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp10 -61.19 -51.18 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.244 0.545 . . . . 0.0 110.648 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 29' ' ' SER . 61.2 m -66.22 -33.56 76.03 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.0 -21.56 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -72.97 -23.9 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.166 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.533 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.71 -10.46 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.44 52.3 3.8 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.266 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 21.6 t -105.87 143.07 26.14 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.21 162.67 39.99 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.528 2.152 . . . . 0.0 112.542 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -145.13 163.78 33.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.632 HG12 ' CD2' ' A' ' 33' ' ' HIS . 47.9 t -89.15 -68.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.273 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' CD2' HG12 ' A' ' 32' ' ' VAL . 99.1 m-70 -139.77 166.89 23.4 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -111.69 147.16 36.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 0.0 111.571 -174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 99.6 mtt180 -125.63 135.76 52.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.766 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -125.9 138.78 53.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 14' ' ' VAL . 72.9 m -65.49 147.47 53.37 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.218 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.553 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 8.3 mmm180 -88.26 6.49 36.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.445 0.64 . . . . 0.0 109.492 168.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.02 -67.77 0.85 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.458 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.31 -34.31 11.12 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.43 10.9 55.28 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.422 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -82.46 130.53 35.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.72 144.83 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.6 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.14 171.75 30.06 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.446 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 31.5 p -89.78 155.75 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.345 0.573 . . . . 0.0 110.292 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 78.3 m -58.7 160.17 5.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 175.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.41 -5.0 45.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.04 -44.91 87.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.49 ' HG ' HG21 ' A' ' 32' ' ' VAL . 19.7 m -71.7 131.22 86.23 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.79 176.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -42.75 -39.2 7.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 124.311 3.341 . . . . 0.0 114.71 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -42.2 76.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.564 0.221 . . . . 0.0 111.509 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt 48.14 53.03 12.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.392 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -69.14 -27.99 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.207 -174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.28 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.405 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -72.26 -40.47 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.182 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 56' ' ' ARG . 54.3 mtt180 -58.23 -47.73 82.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.155 0.502 . . . . 0.0 109.786 175.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -64.48 -36.2 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.024 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.21 -46.37 85.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.591 0.234 . . . . 0.0 110.376 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.79 0.329 . . . . 0.0 111.091 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.28 26.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.127 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -108.6 -6.95 15.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.39 54.52 31.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.382 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -118.22 91.89 41.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.5 -15.58 13.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.012 2.475 . . . . 0.0 113.911 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.59 119.96 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.745 0.783 . . . . 0.0 111.525 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.454 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 24.6 pt -121.94 168.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.03 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -135.16 151.59 50.81 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.99 101.31 0.64 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.884 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 52.0 t80 -80.72 -31.54 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.224 0.535 . . . . 0.0 110.917 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 18.1 t70 -78.87 -51.35 1.37 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 4.2 Cg_exo -78.02 119.84 4.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.117 1.878 . . . . 0.0 111.793 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.1 Cg_exo -74.71 37.03 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.303 2.669 . . . . 0.0 112.964 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -90.49 -50.12 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.221 0.534 . . . . 0.0 110.661 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.37 69.83 1.02 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.062 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -133.64 146.48 50.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.33 151.71 18.34 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.67 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.426 ' HB3' HG13 ' A' ' 66' ' ' ILE . 61.0 t-105 -125.39 134.08 52.28 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 11.1 t -109.48 102.86 11.7 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -47.76 -53.57 14.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.464 HG23 ' OD1' ' A' ' 81' ' ' ASP . 20.2 m -68.09 -21.3 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 8.1 m-20 -96.31 -31.63 12.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.601 0.238 . . . . 0.0 110.709 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 69.57 23.05 6.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.807 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.62 145.07 18.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttm -108.01 130.35 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.648 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -130.62 161.3 31.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.877 0.37 . . . . 0.0 111.434 -176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.01 128.0 33.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.522 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.26 18.23 6.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.298 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 t -61.65 -24.12 66.51 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -171.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -79.69 -11.23 59.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.002 0.43 . . . . 0.0 110.957 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -127.6 4.99 6.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 -176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.501 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 24.8 ptm -52.9 141.84 20.84 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.954 0.784 . . . . 0.0 113.059 -166.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.509 ' HG1' ' NH1' ' A' ' 38' ' ' ARG . 32.0 m -102.2 99.07 11.6 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.992 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 91' ' ' MET . 15.2 Cg_exo -69.02 158.04 59.48 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.674 2.25 . . . . 0.0 111.457 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 p-80 -74.95 136.17 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -72.81 -16.17 61.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.068 -172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.501 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -146.49 164.95 28.38 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.023 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.12 113.58 2.46 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.636 2.224 . . . . 0.0 111.505 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.7 mt -80.88 129.32 68.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.12 123.97 14.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.803 2.335 . . . . 0.0 111.906 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -90.67 97.82 11.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.751 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -82.16 -47.55 12.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.909 0.385 . . . . 0.0 110.057 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.228 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HB2' ' HB3' ' A' ' 86' ' ' ASP . 26.9 ttt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.488 0.185 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.5 m -151.41 144.28 24.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtt -59.93 120.36 9.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.245 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 124.56 8.87 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.927 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -64.64 167.29 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.248 0.219 . . . . 0.0 110.531 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -21.89 11.22 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.97 -30.34 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.672 0.272 . . . . 0.0 111.408 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.544 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.1 t -67.62 -29.43 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 110.443 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.95 -12.62 60.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.85 7.21 23.83 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.971 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 8' ' ' VAL . 48.2 pt -100.62 147.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.154 0.477 . . . . 0.0 110.522 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.31 -175.07 3.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.541 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 50.6 m -86.72 121.82 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.803 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.4 -174.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.523 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.3 m -124.2 127.47 25.32 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 27.1 Cg_exo -63.25 147.82 93.54 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.083 2.522 . . . . 0.0 112.412 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.6 t -80.08 -31.01 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.48 -170.85 3.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.726 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD23 ' HA3' ' A' ' 96' ' ' GLY . 35.1 mt -91.15 7.18 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.333 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA2' HD11 ' A' ' 34' ' ' LEU . . . -178.9 -155.86 15.76 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.053 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.72 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -55.87 -39.88 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.18 -175.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.5 tp10 -65.08 -43.15 93.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.0 m -67.91 -33.07 73.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.976 0.417 . . . . 0.0 110.476 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.09 -23.89 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.4 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 10.7 ptmt -70.83 -20.91 62.51 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 110.483 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.23 8.25 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.85 44.3 96.07 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.443 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 m -113.85 145.5 33.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.93 167.69 26.66 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.916 2.41 . . . . 0.0 112.827 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -134.78 166.58 22.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.83 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG11 ' CD2' ' A' ' 33' ' ' HIS . 43.1 t -90.55 -64.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.468 ' CD2' HG11 ' A' ' 32' ' ' VAL . 95.5 m-70 -142.62 163.78 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.441 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 94.4 mt -120.68 139.52 52.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.482 . . . . 0.0 112.086 -171.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.2 mtt180 -124.4 120.48 32.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.534 175.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.5 tt -110.94 137.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.96 148.15 52.25 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.604 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.2 mmm180 -87.66 23.65 1.91 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.221 0.534 . . . . 0.0 109.672 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -129.17 -73.07 0.58 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.407 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -85.1 -16.84 39.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.713 0.292 . . . . 0.0 111.436 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 16' ' ' PRO . . . 77.08 13.58 83.51 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.34 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -90.07 142.01 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG13 ' N ' ' A' ' 44' ' ' GLY . 3.6 t -97.44 166.37 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.457 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.428 ' HA2' ' HD1' ' A' ' 53' ' ' HIS . . . -170.99 147.81 10.73 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.606 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.657 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 4.8 p -72.93 145.51 46.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.864 0.332 . . . . 0.0 110.217 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 8.6 p -64.39 169.98 4.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.718 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.4 p-10 -71.82 -16.68 62.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.447 . . . . 0.0 110.06 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 34.0 t70 -65.67 -26.43 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.709 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -84.49 140.91 38.76 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.217 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.81 -19.84 69.65 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.603 2.202 . . . . 0.0 112.89 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.657 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.2 t60 -75.59 -35.85 60.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 98.1 mttt 49.81 58.88 4.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.46 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.428 ' HD1' ' HA2' ' A' ' 44' ' ' GLY . 11.4 t-80 -77.36 -36.85 53.26 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.837 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.96 86.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.73 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 17.7 p -75.31 -46.94 30.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.543 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.75 -38.28 90.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -63.54 -41.83 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.487 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -56.62 -48.1 78.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.783 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.6 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.22 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -107.37 -30.35 8.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.63 45.73 5.68 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.986 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -116.06 93.3 38.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 89.5 Cg_endo -78.66 -18.1 12.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.905 2.403 . . . . 0.0 114.352 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 11' ' ' ILE . 51.3 mt -106.87 121.77 60.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.367 0.603 . . . . 0.0 111.571 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.19 155.59 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.711 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -121.59 145.41 48.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.716 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.67 107.39 2.17 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.29 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.613 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.6 t80 -92.51 -44.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.732 -176.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 1.4 t70 -60.86 -47.8 94.64 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 43.4 Cg_endo -98.87 91.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.628 2.219 . . . . 0.0 111.08 165.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 54.63 3.62 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.994 2.462 . . . . 0.0 112.923 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.8 mt-10 -69.44 -36.91 77.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 58.1 0.86 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.27 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.541 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 55.8 p-90 -137.97 155.71 48.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 110.41 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.41 126.63 6.15 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.713 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.5 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 41.1 t-105 -103.87 129.47 51.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.6 t -108.26 105.39 15.08 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -50.83 -50.15 57.18 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.9 m -67.78 -21.78 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.8 m-20 -98.76 -32.63 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.542 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 69.82 18.95 7.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.565 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -100.8 140.04 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.624 177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.5 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 37.9 ttp -112.48 108.88 18.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.903 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.488 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 44.3 p90 -108.84 179.94 4.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.3 p-10 -94.74 139.84 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.397 0.617 . . . . 0.0 112.244 -173.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.7 mt -137.77 41.77 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.611 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 t -63.22 -35.98 82.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.251 -170.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.31 -10.21 21.52 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.082 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.25 -2.83 26.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.455 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.0 ptp -49.52 139.86 11.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.991 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 m -69.94 125.02 91.78 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.27 -176.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -63.54 155.99 59.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.87 2.38 . . . . 0.0 111.596 176.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.613 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 25.1 p-80 -81.59 130.41 35.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.163 0.506 . . . . 0.0 110.783 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -92.35 2.32 56.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.133 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.464 ' HA3' HD23 ' A' ' 19' ' ' LEU . . . 169.04 -172.88 43.47 Favored Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.92 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -88.19 113.83 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.001 2.467 . . . . 0.0 111.957 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.46 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 30.3 mt -78.49 120.41 80.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.671 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 10.8 Cg_exo -71.19 103.4 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.871 2.38 . . . . 0.0 112.509 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -81.0 106.05 12.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.03 -43.43 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.016 -0.992 . . . . 0.0 111.424 -177.1 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.852 0.358 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -164.98 168.03 17.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.8 mmt -76.32 -15.83 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.303 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -112.57 3.49 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.932 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' HG21 ' A' ' 8' ' ' VAL . 26.4 p -165.03 166.1 19.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -63.68 -15.79 59.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -62.11 -27.04 68.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.847 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.551 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.7 t -67.0 -29.39 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.397 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.7 50.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.708 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.41 -19.26 14.38 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.759 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 8' ' ' VAL . 41.4 pt -81.92 152.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.008 0.432 . . . . 0.0 110.881 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.487 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.46 177.64 7.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 -178.41 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -82.17 108.92 16.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.407 HG22 ' HA2' ' A' ' 41' ' ' GLY . 22.0 m -100.38 176.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.056 -170.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.5 m -99.99 126.15 37.65 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.82 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 20.2 Cg_exo -65.74 110.88 1.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.561 2.174 . . . . 0.0 111.78 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -70.67 -16.0 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.197 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.64 161.71 37.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.55 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HA3' ' A' ' 96' ' ' GLY . 2.8 mm? -89.69 -42.82 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 109.876 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' HD12 ' A' ' 34' ' ' LEU . . . -133.77 -148.0 5.77 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 176.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 100.0 5.85 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -36.35 73.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.409 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.3 tt0 -63.33 -42.15 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' SER . 95.9 m -67.96 -35.08 77.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.943 0.401 . . . . 0.0 110.419 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.98 -16.12 63.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.989 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.531 ' HG3' HG21 ' A' ' 27' ' ' ILE . 35.6 pttt -81.78 -22.43 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.711 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.531 HG21 ' HG3' ' A' ' 26' ' ' LYS . 10.0 pt -127.59 6.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 45.85 33.52 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.279 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.509 ' OG ' HG13 ' A' ' 27' ' ' ILE . 49.8 m -106.22 153.04 40.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.29 172.27 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.795 2.33 . . . . 0.0 113.099 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.9 p90 -151.14 155.83 39.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.737 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG11 HG13 ' A' ' 102' ' ' VAL . 21.2 t -97.94 -57.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.352 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -131.84 164.39 26.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD12 ' HA2' ' A' ' 20' ' ' GLY . 77.3 mt -133.4 130.26 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.102 -174.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.673 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 19.1 mtm180 -126.23 125.43 42.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.085 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tt -105.8 141.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.701 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.41 142.38 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.664 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -87.55 6.63 33.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.566 0.698 . . . . 0.0 109.234 168.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.85 -72.28 0.71 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.218 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 p -92.84 -4.15 53.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.889 -173.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' HA2' HG22 ' A' ' 14' ' ' VAL . . . 68.94 15.43 69.28 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.846 -0.693 . . . . 0.0 113.938 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.61 136.82 32.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.248 -0.56 . . . . 0.0 109.945 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 t -93.82 139.08 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.433 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.98 142.96 14.52 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.975 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.0 p -72.65 139.99 47.68 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.673 ' SG ' ' HG3' ' A' ' 35' ' ' ARG . 77.1 m -62.43 171.84 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.677 0.751 . . . . 0.0 112.596 -173.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.2 p-10 -75.93 -4.64 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.723 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.547 ' OD1' ' HB2' ' A' ' 46' ' ' CYS . 3.1 p-10 -88.45 -8.85 54.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.562 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.441 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 26.6 m -97.33 155.7 37.06 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.788 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 49' ' ' SER . 11.3 Cg_endo -54.76 -30.3 66.49 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.507 2.805 . . . . 0.0 114.318 -173.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -88.35 -32.99 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 52.3 mtmt 53.03 36.08 21.18 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.2 0.524 . . . . 0.0 110.586 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -66.07 -27.66 68.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.561 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.9 92.58 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.2 p -75.43 -44.59 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.95 0.405 . . . . 0.0 110.395 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -58.06 -43.09 86.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.332 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -57.86 -43.93 86.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.977 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -57.81 -48.65 79.11 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.183 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.91 -26.5 66.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.727 0.299 . . . . 0.0 111.277 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.21 6.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.72 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -84.42 -30.28 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.53 45.47 6.86 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.997 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -114.64 93.96 35.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 72.5 Cg_endo -77.58 -18.9 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.704 2.27 . . . . 0.0 113.907 -171.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 11' ' ' ILE . 45.0 mt -105.1 124.07 59.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.806 0.812 . . . . 0.0 111.872 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 HD12 ' NE ' ' A' ' 35' ' ' ARG . 12.2 pt -131.2 161.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 39.3 tt0 -128.02 149.39 50.39 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.05 106.23 1.59 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.901 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -41.84 14.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 110.632 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -79.96 -37.43 1.1 Allowed Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.902 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.517 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 8.3 Cg_endo -89.49 117.46 0.76 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.225 1.95 . . . . 0.0 111.821 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.29 28.15 0.3 Allowed 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.369 2.713 . . . . 0.0 113.509 -176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -79.85 -28.63 40.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.45 70.91 1.14 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -132.37 152.29 51.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.23 136.8 12.54 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.963 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -116.28 135.28 54.03 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 8.6 t -115.93 104.48 11.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -45.96 -52.58 11.44 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.771 0.669 . . . . 0.0 112.759 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG21 ' OD1' ' A' ' 81' ' ' ASP . 30.3 m -70.52 -20.28 22.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 1.4 m-20 -97.95 -34.47 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 64.75 26.72 13.06 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.843 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.21 137.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.98 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.9 ttp -106.96 127.66 53.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.014 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.457 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 27.3 p90 -125.38 162.85 23.87 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.67 141.54 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.012 0.434 . . . . 0.0 110.236 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.1 mt -130.19 10.19 5.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.981 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' A' ' 91' ' ' MET . 22.9 t -57.14 -23.68 49.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.63 -22.25 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.376 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.4 mtt85 -139.49 18.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.071 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.533 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.5 ptm -64.42 147.68 52.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -166.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -100.25 101.51 14.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.741 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.41 158.66 29.28 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.395 2.063 . . . . 0.0 112.562 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -74.58 110.66 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.511 . . . . 0.0 109.967 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -80.84 -22.24 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.639 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.49 ' HA3' HD12 ' A' ' 19' ' ' LEU . . . -107.79 160.98 13.7 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.519 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -73.97 98.3 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.082 2.522 . . . . 0.0 111.518 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.4 mt -81.19 123.85 81.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.806 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.04 116.98 3.64 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 111.573 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.96 106.15 12.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.933 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -86.38 -21.7 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.479 HG13 HG11 ' A' ' 32' ' ' VAL . 5.2 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.92 ' HG3' ' HA ' ' A' ' 85' ' ' PHE . 51.0 ttp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -103.42 -62.13 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.817 177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 mmt -160.91 156.18 24.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.348 0.259 . . . . 0.0 110.567 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 -159.97 33.3 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.2 p -168.31 166.26 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.527 0.663 . . . . 0.0 111.436 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.81 -31.35 38.3 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.292 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -61.37 -24.25 66.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.611 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.88 -27.46 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.994 0.426 . . . . 0.0 110.981 -177.019 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.39 -1.34 32.96 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.127 -0.358 . . . . 0.0 111.365 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.4 45.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.31 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 8' ' ' VAL . 22.9 pt -100.56 153.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 110.587 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -129.43 167.65 17.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.868 177.68 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 9.9 m -81.28 102.87 10.68 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.46 0.647 . . . . 0.0 109.749 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.68 -179.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.247 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.7 m -115.88 135.84 22.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.468 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.526 ' HB2' ' HB2' ' A' ' 95' ' ' ASN . 37.1 Cg_exo -60.71 120.94 8.95 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.184 . . . . 0.0 112.481 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.8 t -74.28 -26.08 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.32 15.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.41 -46.28 8.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.328 0.585 . . . . 0.0 109.623 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.05 -164.49 25.78 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.527 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 53.0 t -63.61 118.94 8.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.2 -18.43 58.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.389 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.8 tt0 -91.36 -55.94 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 176.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 68.9 m -57.74 -29.24 64.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -174.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 79.9 mt -60.43 -24.4 65.15 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.0 ptmt -70.34 -29.54 66.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.614 0.245 . . . . 0.0 111.292 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 26' ' ' LYS . 24.6 pt -113.45 -9.8 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.75 0.31 . . . . 0.0 111.357 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.25 39.31 52.48 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.232 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -88.51 145.97 36.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.586 0.231 . . . . 0.0 110.676 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.23 159.05 54.89 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.771 2.314 . . . . 0.0 112.744 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -143.44 161.08 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.041 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.46 -50.06 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.561 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -141.14 157.96 44.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 94.9 mt -127.64 137.2 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 -176.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -135.45 132.31 37.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.035 0.445 . . . . 0.0 110.414 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 92' ' ' THR . 15.1 tt -96.51 131.25 43.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.797 0.808 . . . . 0.0 109.831 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HA ' HG21 ' A' ' 66' ' ' ILE . 44.2 t -75.24 112.8 11.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.635 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.3 mmm180 -69.17 5.92 1.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -106.19 -37.77 6.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.648 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -134.18 4.82 3.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.859 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.55 11.9 80.29 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.918 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -84.11 130.0 34.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.89 126.99 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.694 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.69 156.98 22.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.993 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.98 149.18 32.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.682 0.277 . . . . 0.0 110.293 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.97 155.94 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.051 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.538 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 9.2 p-10 -63.07 -18.89 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.729 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -39.62 86.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.291 0.567 . . . . 0.0 110.195 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -74.71 142.2 76.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.757 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.57 -30.53 21.89 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.938 3.092 . . . . 0.0 114.085 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -64.92 -42.42 94.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.357 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 61.6 mttm 51.45 37.05 18.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.2 -16.94 63.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.58 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.94 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.658 0.266 . . . . 0.0 110.837 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -69.12 -39.48 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.57 -43.6 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.618 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -59.72 -37.38 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.749 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -71.41 -30.98 66.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.51 -46.48 39.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.313 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.3 p -101.54 -21.53 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.7 44.7 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.723 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -117.89 98.46 51.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.52 -4.54 12.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.2 2.6 . . . . 0.0 115.034 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 HG23 HD12 ' A' ' 11' ' ' ILE . 42.3 mt -126.79 129.72 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.616 0.722 . . . . 0.0 111.991 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 HD12 ' OH ' ' A' ' 79' ' ' TYR . 22.9 pt -127.85 173.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.613 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' CD ' HH11 ' A' ' 38' ' ' ARG . 35.2 tt0 -134.08 143.26 47.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.289 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.88 105.83 1.3 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -93.43 -38.71 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.568 0.223 . . . . 0.0 111.164 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.609 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.6 p-10 -72.06 -37.4 4.88 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.511 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 96.7 Cg_endo -87.41 130.41 2.83 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.207 1.271 . . . . 0.0 112.133 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.99 42.84 0.54 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.26 2.64 . . . . 0.0 112.664 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.21 -59.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.38 77.93 1.38 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.054 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -143.18 155.44 44.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 110.677 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.81 146.65 18.82 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.269 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -120.12 130.28 54.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.8 t -109.01 114.84 28.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.505 ' OH ' HD12 ' A' ' 66' ' ' ILE . 88.5 m-85 -54.64 -64.46 0.82 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.19 -21.79 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.506 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -86.29 -36.4 19.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.436 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.77 22.63 10.27 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.536 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.407 HG21 ' CB ' ' A' ' 81' ' ' ASP . 34.4 m -109.04 139.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.602 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.6 ttm -107.16 132.97 52.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.023 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.92 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 25.8 p90 -132.09 153.86 50.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.168 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.92 136.09 37.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.35 . . . . 0.0 110.702 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.19 16.53 6.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.639 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -61.33 -25.69 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.57 -171.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.17 -22.52 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.295 0.569 . . . . 0.0 110.988 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -139.25 32.81 2.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.578 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 111.867 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 36' ' ' ILE . 4.0 m -91.45 120.93 68.13 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.083 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 17.0 Cg_exo -67.17 162.73 37.1 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.668 2.245 . . . . 0.0 111.815 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -76.63 148.8 36.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.526 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 65.4 t30 -92.88 9.67 34.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.572 . . . . 0.0 110.503 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.76 -175.42 23.02 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.796 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.95 117.65 4.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.857 2.371 . . . . 0.0 111.895 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.87 129.87 34.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.2 107.54 1.38 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.59 2.193 . . . . 0.0 112.347 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HD3' ' C ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -89.97 135.67 33.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.969 177.159 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -107.57 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.55 -177.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.714 0.292 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.466 HG21 ' HB ' ' A' ' 83' ' ' VAL . 14.4 t -128.14 -173.9 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.81 133.18 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.059 0.457 . . . . 0.0 111.479 -175.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 137.71 36.89 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.4 p -95.94 165.62 12.18 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -55.36 -25.46 35.24 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.488 ' HB3' HD13 ' A' ' 65' ' ' ILE . 36.1 m80 -60.25 -25.77 65.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.34 -27.58 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.406 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.26 0.21 22.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.2 0.18 29.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 17.1 pt -97.1 152.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.792 0.296 . . . . 0.0 110.572 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -129.77 167.77 17.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.955 0.407 . . . . 0.0 110.985 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 33.1 m -70.21 115.93 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.772 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.74 165.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.7 m -103.39 123.33 41.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.647 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 9.0 Cg_exo -70.7 100.99 0.98 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.824 2.349 . . . . 0.0 111.575 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -71.8 -15.1 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.125 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.51 165.05 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.595 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.13 -58.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -94.64 -165.55 36.0 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.312 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 48.3 t -72.7 102.73 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -40.25 64.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.128 -174.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 28.2 tt0 -73.98 -36.2 64.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.824 0.345 . . . . 0.0 110.749 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -68.39 -29.7 68.45 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.26 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.2 mt -67.43 -26.3 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.672 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -76.36 -15.76 59.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.115 0.483 . . . . 0.0 110.248 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -116.48 6.57 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.21 49.48 70.78 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.487 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -123.07 149.52 57.24 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.559 0.218 . . . . 0.0 110.868 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 -160.89 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.961 2.441 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -156.51 163.8 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 102' ' ' VAL . 49.5 t -91.4 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 89.1 m-70 -135.37 150.73 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.787 0.327 . . . . 0.0 110.126 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD12 HD11 ' A' ' 98' ' ' ILE . 95.1 mt -112.82 142.99 44.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.273 -175.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.7 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -134.74 137.75 43.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.594 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.579 ' HB ' ' HD2' ' A' ' 69' ' ' TYR . 17.3 tt -97.35 156.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -112.58 109.23 18.65 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 38' ' ' ARG . 12.4 mmm180 -69.1 8.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -107.31 -27.83 10.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.436 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.4 p -142.24 -3.6 1.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.441 -0.504 . . . . 0.0 112.0 -173.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.94 79.1 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.624 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -94.36 134.29 37.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' H ' ' A' ' 44' ' ' GLY . 3.0 t -91.71 -177.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' H ' HG11 ' A' ' 43' ' ' VAL . . . 169.5 155.69 10.18 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 173.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 p -78.16 139.66 38.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.6 p -64.0 172.06 2.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.7 p-10 -76.83 -1.42 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.52 -21.01 61.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 t -87.18 141.58 32.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.927 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.93 -12.62 23.18 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.747 2.298 . . . . 0.0 112.956 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -83.87 -37.14 22.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 85.7 mttt 48.61 55.12 9.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.45 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -78.3 -18.13 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.352 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -47.79 67.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -71.71 -42.33 67.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -60.28 -35.11 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.763 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -64.37 -45.58 87.1 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.593 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -62.06 -44.74 96.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.204 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -64.01 -29.32 70.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.39 -53.81 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.4 p -90.04 -31.64 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.43 48.05 5.78 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.716 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.9 m170 -114.64 95.2 39.71 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -81.16 5.16 6.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.213 2.609 . . . . 0.0 114.878 -169.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.488 HD13 ' HB3' ' A' ' 7' ' ' HIS . 37.2 mt -126.24 130.0 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.418 0.628 . . . . 0.0 111.698 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 77' ' ' TRP . 41.1 pt -129.26 172.16 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.961 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 44.2 tt0 -138.0 148.22 44.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.921 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.54 102.99 0.88 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.671 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.579 ' HD2' ' HB ' ' A' ' 36' ' ' ILE . 29.9 t80 -87.64 -43.49 11.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.706 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.584 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 9.8 t70 -77.06 -53.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.362 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 3.2 Cg_exo -81.69 107.03 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.975 1.783 . . . . 0.0 111.099 176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.0 Cg_exo -78.89 37.33 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.461 2.774 . . . . 0.0 112.506 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -84.15 -11.96 55.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.058 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.575 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 71.35 76.37 0.58 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.999 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.542 ' HE1' ' HB2' ' A' ' 71' ' ' PRO . 55.2 p-90 -142.06 148.89 39.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.39 132.91 9.8 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.426 ' HB3' HG13 ' A' ' 66' ' ' ILE . 75.8 t-105 -108.83 125.46 51.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.1 t -105.22 105.75 15.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -51.09 -55.44 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.577 HG22 ' OD1' ' A' ' 81' ' ' ASP . 23.7 m -66.26 -19.77 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.328 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.577 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.3 m-20 -97.34 -34.78 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.864 0.364 . . . . 0.0 110.502 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 66.14 32.05 8.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.64 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' HB ' HG21 ' A' ' 2' ' ' THR . 34.5 m -118.35 140.73 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.703 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttp -107.35 115.31 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.129 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -109.01 168.66 9.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.455 ' HB2' ' HG2' ' A' ' 1' ' ' MET . 11.9 t70 -83.12 132.3 35.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.641 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.8 mt -135.66 18.67 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.594 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.575 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 24.6 t -52.83 -41.63 64.39 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.22 -14.32 55.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -127.97 14.14 6.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.423 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 ptm -74.52 163.04 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.987 0.423 . . . . 0.0 110.885 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 m -85.64 124.05 71.75 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.99 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 131.76 22.69 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 111.776 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -75.41 128.44 35.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.911 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -93.29 17.01 11.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 111.035 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.53 160.18 32.75 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.675 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.97 155.01 26.15 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.752 2.302 . . . . 0.0 112.481 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.492 HD11 HD12 ' A' ' 34' ' ' LEU . 78.8 mt -118.32 123.75 29.11 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.48 131.63 45.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.684 2.256 . . . . 0.0 111.783 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.553 HH21 HG23 ' A' ' 102' ' ' VAL . 2.7 tpt180 -85.81 104.2 15.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.954 -175.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -102.59 -9.99 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.05 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.553 HG23 HH21 ' A' ' 100' ' ' ARG . 3.9 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.788 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -160.42 -176.52 5.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.1 mtt -82.25 -41.76 19.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.544 0.211 . . . . 0.0 110.83 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.36 -132.47 3.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.179 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.9 p -163.71 175.14 10.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.35 -29.29 67.56 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.733 0.242 . . . . 0.0 111.585 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.457 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 36.5 m80 -60.87 -25.93 67.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.82 0.343 . . . . 0.0 111.234 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.713 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.45 -27.08 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -175.166 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.7 2.34 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.818 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.78 11.55 10.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.594 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.713 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.2 pt -100.36 151.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.92 172.74 12.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.134 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -86.29 98.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.86 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.209 -169.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.5 m -107.89 126.48 29.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.014 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.55 135.29 63.54 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.847 2.365 . . . . 0.0 112.566 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 23.5 m -72.01 -31.89 66.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.96 171.84 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.682 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.27 -44.45 19.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.125 0.488 . . . . 0.0 109.951 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.55 -144.12 7.89 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.725 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' HD23 ' A' ' 34' ' ' LEU . 60.4 m -75.18 108.93 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.77 -0.253 . . . . 0.0 111.061 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.18 -31.35 5.61 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.956 0.785 . . . . 0.0 111.496 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.08 -63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.0 m -56.02 -29.76 60.84 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 77.6 mt -64.66 -16.19 62.45 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HG3' HG21 ' A' ' 27' ' ' ILE . 11.6 ptmt -68.43 -24.8 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 110.534 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.529 HG21 ' HG3' ' A' ' 26' ' ' LYS . 7.8 pt -127.73 5.26 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.354 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.21 27.61 73.66 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.853 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -88.99 157.17 48.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.697 0.284 . . . . 0.0 111.453 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.475 ' HA ' ' CE2' ' A' ' 101' ' ' TYR . 16.3 Cg_exo -69.62 174.96 8.62 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.245 2.63 . . . . 0.0 113.106 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.7 p90 -150.54 160.68 43.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.259 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.59 -56.76 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -135.46 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.124 0.488 . . . . 0.0 111.296 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD23 ' SG ' ' A' ' 21' ' ' CYS . 76.9 mt -112.75 131.94 55.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.742 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HD3' ' CB ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -141.65 134.33 28.54 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.474 0.654 . . . . 0.0 111.435 177.153 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' HB ' HG21 ' A' ' 43' ' ' VAL . 7.4 tt -119.53 141.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.105 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 m -72.93 143.82 47.55 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.481 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.542 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -82.95 36.8 0.51 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.055 0.455 . . . . 0.0 109.9 171.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -140.59 -62.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.63 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 14.7 p -102.08 -13.62 17.43 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.729 0.299 . . . . 0.0 111.688 -174.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.36 -1.63 88.41 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.565 -0.826 . . . . 0.0 114.105 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.477 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 12.4 m-70 -75.97 119.45 19.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 117.537 0.668 . . . . 0.0 111.182 -177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.516 HG21 ' HB ' ' A' ' 36' ' ' ILE . 45.0 t -87.96 122.23 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.817 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.23 160.57 19.82 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.066 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.7 p -72.76 128.78 36.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.91 160.88 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.54 -4.63 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.471 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -64.1 -36.49 84.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 109.97 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -86.7 146.03 40.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.71 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.25 -27.5 80.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.399 2.733 . . . . 0.0 113.779 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.491 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 40.6 m-70 -62.5 -42.53 99.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.185 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt 50.66 36.31 13.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.064 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.2 -18.49 48.71 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.355 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HD3' ' A' ' 35' ' ' ARG . . . -66.36 -48.58 69.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.696 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.8 p -78.63 -39.53 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -61.19 -37.45 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.93 -38.98 72.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.709 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -63.69 -39.46 94.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.9 0.381 . . . . 0.0 110.331 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -61.12 -32.56 72.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.798 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.23 -47.67 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -174.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -96.62 -14.36 22.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.92 47.89 77.61 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.522 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -110.51 92.33 13.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.27 -22.23 7.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.963 2.442 . . . . 0.0 113.946 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.8 mt -97.87 121.81 48.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.548 0.69 . . . . 0.0 111.441 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 38.0 pt -126.82 144.67 36.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.324 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.61 144.87 35.76 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' HA3' ' CZ2' ' A' ' 75' ' ' TRP . . . -68.27 110.09 3.24 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.741 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -92.2 -27.42 17.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.498 0.189 . . . . 0.0 111.211 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.633 ' CG ' ' HD3' ' A' ' 71' ' ' PRO . 5.5 p-10 -84.19 -38.36 0.67 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.439 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.633 ' HD3' ' CG ' ' A' ' 70' ' ' ASP . 58.4 Cg_endo -104.04 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.866 2.377 . . . . 0.0 111.29 170.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 5.0 Cg_exo -75.93 78.79 3.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -111.05 -0.46 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.229 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.538 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 73.3 73.08 0.91 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.077 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.457 ' CZ2' ' HA3' ' A' ' 68' ' ' GLY . 52.3 p-90 -142.63 142.31 32.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.849 0.357 . . . . 0.0 110.254 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.37 129.19 8.2 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.365 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -106.62 137.34 44.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.2 t -118.06 111.2 18.6 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' OH ' ' HB1' ' A' ' 54' ' ' ALA . 34.4 m-85 -46.67 -66.41 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -172.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.6 m -67.22 -21.12 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -84.16 -36.94 22.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 0.0 110.187 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 67.97 23.85 8.12 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.536 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 m -112.06 150.46 14.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.496 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 57.1 ttp -119.85 120.4 36.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.705 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -115.33 168.1 10.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.73 136.45 33.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.181 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.8 mt -134.35 25.77 3.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.023 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.538 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.4 p -56.54 -39.31 73.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 -10.23 59.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 110.81 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -125.29 14.79 8.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.234 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.1 ptp -61.93 154.3 26.71 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 m -98.48 108.04 45.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.402 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.54 131.17 18.3 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.389 2.059 . . . . 0.0 111.734 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.426 ' HD2' ' O ' ' A' ' 96' ' ' GLY . 55.0 p-80 -61.81 138.71 58.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.981 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.68 -56.5 13.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.768 -174.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.426 ' O ' ' HD2' ' A' ' 94' ' ' HIS . . . -134.05 -174.4 13.5 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.811 -174.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.29 119.24 6.24 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.906 2.404 . . . . 0.0 111.93 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.449 HG21 HD12 ' A' ' 34' ' ' LEU . 57.2 mt -97.74 123.03 53.26 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.831 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 17.0 Cg_exo -66.92 104.35 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.733 2.288 . . . . 0.0 111.833 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -88.48 117.67 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.475 ' CE2' ' HA ' ' A' ' 30' ' ' PRO . 79.1 m-85 -92.54 -59.54 2.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.779 -174.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.879 -175.418 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.709 ' HG3' ' H ' ' A' ' 2' ' ' THR . 37.7 tpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.709 ' H ' ' HG3' ' A' ' 1' ' ' MET . 2.8 t -76.32 68.28 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -175.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 mmt 54.69 -91.49 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.868 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.83 -135.92 4.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.782 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.5 p -157.38 176.7 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -64.87 -24.54 67.57 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.58 -25.4 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 12.7 t -63.72 -30.48 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.202 0.525 . . . . 0.0 109.99 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.02 -17.49 59.65 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.38 37.35 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.225 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.511 HD13 HG21 ' A' ' 65' ' ' ILE . 47.8 pt -91.21 153.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.474 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 172.03 12.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.487 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.645 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 39.3 m -73.84 96.66 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.653 0.739 . . . . 0.0 111.088 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 HG22 ' HA2' ' A' ' 41' ' ' GLY . 22.2 m -84.83 161.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.205 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.4 m -96.11 128.57 36.59 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.943 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.64 107.8 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.725 2.284 . . . . 0.0 112.027 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -83.47 11.78 6.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.445 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -163.19 149.95 12.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.396 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' HA3' ' A' ' 96' ' ' GLY . 10.8 mp -80.68 -48.05 13.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.252 0.548 . . . . 0.0 109.925 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.58 -147.02 7.03 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.528 ' HG ' HD21 ' A' ' 34' ' ' LEU . 72.4 m -75.68 104.06 6.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.004 0.402 . . . . 0.0 110.043 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.24 -38.03 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 0.0 110.38 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.1 tp10 -60.39 -60.71 3.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.734 178.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.617 ' HB3' ' O ' ' A' ' 29' ' ' SER . 73.2 m -52.55 -40.24 62.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.773 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.11 -15.78 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.8 ptmt -83.51 -18.8 37.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.258 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.4 pt -118.49 -5.41 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.757 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.13 42.23 24.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.32 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.617 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 66.1 m -118.69 156.36 51.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.474 0.178 . . . . 0.0 110.996 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.3 179.58 5.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.703 2.268 . . . . 0.0 112.824 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -146.87 164.97 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.315 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG13 ' CD2' ' A' ' 33' ' ' HIS . 48.4 t -90.44 -66.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.283 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.483 ' CD2' HG13 ' A' ' 32' ' ' VAL . 88.2 m-70 -131.91 153.87 49.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.47 . . . . 0.0 111.16 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 HD21 ' HG ' ' A' ' 21' ' ' CYS . 97.5 mt -101.51 131.01 47.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.48 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HE ' HD12 ' A' ' 66' ' ' ILE . 7.7 mmm180 -120.83 109.43 15.13 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG22 ' HB3' ' A' ' 67' ' ' GLU . 14.0 tt -95.97 121.94 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 122.175 0.988 . . . . 0.0 109.869 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.98 116.29 14.43 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.708 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.645 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 8.7 mmm180 -72.42 1.98 7.01 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -173.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -98.88 -61.1 1.41 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.846 0.355 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 p -102.75 1.86 34.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA2' HG22 ' A' ' 14' ' ' VAL . . . 73.29 14.43 79.22 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.154 -0.546 . . . . 0.0 114.404 173.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -94.18 133.82 37.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.867 0.833 . . . . 0.0 110.681 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 21.5 t -90.86 132.37 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.98 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 171.55 22.45 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.925 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.5 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 6.7 p -83.12 137.12 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.804 0.335 . . . . 0.0 110.814 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.53 172.68 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.897 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.564 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.0 p-10 -75.81 -8.56 57.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.04 -42.56 85.65 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.866 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.9 m -83.1 134.78 45.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.72 -15.98 23.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.219 2.613 . . . . 0.0 113.501 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.68 -39.2 93.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.222 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.564 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 47.8 mtmt 46.87 51.4 12.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.519 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -76.0 -20.57 57.74 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.018 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.42 -44.67 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -74.24 -43.6 56.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -59.87 -29.24 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -65.56 -41.89 92.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -62.93 -38.21 90.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.478 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -67.43 -26.47 66.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.279 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.75 -50.1 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.3 p -94.73 -26.51 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.36 39.78 21.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.98 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -107.65 102.51 45.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.99 0.82 9.12 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.957 2.438 . . . . 0.0 115.666 -165.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.511 HG21 HD13 ' A' ' 11' ' ' ILE . 36.5 mt -126.69 126.98 69.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 118.885 0.766 . . . . 0.0 112.421 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 ' HE ' ' A' ' 35' ' ' ARG . 38.5 pt -129.74 138.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.163 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 36' ' ' ILE . 33.8 tt0 -103.86 148.48 26.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 108.56 2.54 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.432 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 14.3 t80 -93.03 -27.79 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -172.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.555 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 6.9 p-10 -78.48 -37.26 1.36 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.819 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.555 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 9.8 Cg_endo -89.9 118.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 121.842 1.695 . . . . 0.0 111.227 173.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.7 Cg_exo -71.21 35.8 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.219 2.613 . . . . 0.0 112.947 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 33.3 mt-10 -86.62 -38.66 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.299 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 84.8 0.76 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.18 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 51.3 p-90 -150.82 140.1 21.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 110.68 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.35 135.61 12.79 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.432 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.404 ' HE3' ' HB2' ' A' ' 84' ' ' MET . 56.6 t-105 -102.67 135.93 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 3.4 t -113.51 113.51 25.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -53.49 -67.13 0.28 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.8 m -61.88 -19.99 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.529 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -89.57 -36.67 15.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.88 0.371 . . . . 0.0 110.164 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.67 24.88 8.31 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.749 -176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG21 ' HB3' ' A' ' 81' ' ' ASP . 35.9 m -117.95 141.37 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.531 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.461 ' HE1' ' HE3' ' A' ' 1' ' ' MET . 54.3 ttp -100.03 138.03 37.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.098 174.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.529 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 51.1 p90 -131.81 145.29 51.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.47 137.38 55.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -140.46 23.78 2.31 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.636 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 t -61.75 -33.78 74.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.734 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.31 -19.16 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.16 16.63 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.685 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.15 165.31 18.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.129 0.49 . . . . 0.0 111.557 -172.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.459 HG23 HD12 ' A' ' 36' ' ' ILE . 40.6 p -84.14 134.24 43.86 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.035 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.8 116.13 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.357 2.038 . . . . 0.0 111.924 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.432 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -61.46 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 110.232 177.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -87.95 2.08 52.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.949 -166.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.535 ' HA3' ' HG ' ' A' ' 19' ' ' LEU . . . -157.18 175.04 34.72 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.932 -1.127 . . . . 0.0 112.817 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.19 127.17 10.34 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.965 2.444 . . . . 0.0 111.898 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.456 HD12 ' CD1' ' A' ' 34' ' ' LEU . 63.5 mt -117.36 112.91 39.14 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.615 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 12.5 Cg_exo -70.08 123.9 10.44 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.936 2.424 . . . . 0.0 112.837 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.573 ' HD2' ' OXT' ' A' ' 102' ' ' VAL . 6.9 tpp180 -70.66 104.56 2.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.332 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.41 -36.14 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.573 ' OXT' ' HD2' ' A' ' 100' ' ' ARG . 6.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 84' ' ' MET . 13.2 tpt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.1 172.72 6.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.6 ttp -71.19 -39.7 71.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.971 0.415 . . . . 0.0 110.149 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.03 -152.53 20.8 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.617 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 p -155.06 171.92 18.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 6' ' ' ARG . 11.7 ptt180 -60.37 -25.49 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -65.96 -26.71 67.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.604 0.24 . . . . 0.0 111.45 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 17.3 t -65.15 -29.24 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.482 0.658 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -13.04 62.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.17 -13.5 33.37 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.246 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 HD11 HG21 ' A' ' 65' ' ' ILE . 44.1 pt -86.28 152.11 3.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 117.23 0.515 . . . . 0.0 110.581 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -123.87 176.9 6.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.094 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -76.77 101.48 5.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.545 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 18.1 m -99.49 144.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.173 0.511 . . . . 0.0 111.84 -170.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -85.6 128.1 60.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.271 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.13 132.11 35.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.64 2.227 . . . . 0.0 112.417 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.51 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.3 m -60.23 -47.36 86.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.2 178.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.987 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.69 -59.21 5.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.271 0.557 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.71 -149.05 15.98 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.457 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 48.6 t -75.17 117.81 17.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -38.15 -70.36 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.473 1.108 . . . . 0.0 113.359 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.634 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 34.4 tt0 -68.8 -31.17 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 87.9 m -62.59 -32.71 73.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.061 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.703 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.634 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 32.6 pttt -67.35 -23.62 65.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.18 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 26' ' ' LYS . 22.6 pt -128.96 4.26 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.08 45.71 93.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.707 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.2 t -79.53 113.85 40.55 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.96 121.25 9.23 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.092 2.528 . . . . 0.0 112.755 -176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -109.85 157.42 19.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.433 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.84 -58.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -136.06 150.99 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.579 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.652 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 95.7 mt -109.49 132.12 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.19 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -129.65 126.19 37.81 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.301 0.572 . . . . 0.0 109.948 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 92' ' ' THR . 13.0 tt -96.32 124.83 49.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.913 0.863 . . . . 0.0 110.333 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.15 107.02 2.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.581 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HA ' HG22 ' A' ' 14' ' ' VAL . 10.2 mmm180 -70.99 6.39 1.58 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.6 -28.48 12.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.774 0.321 . . . . 0.0 111.511 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.6 p -142.84 -0.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.808 -176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.545 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 80.26 13.96 81.07 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.569 175.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.51 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 1.7 t60 -83.56 116.78 22.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.379 0.59 . . . . 0.0 109.913 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -86.83 124.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.427 ' HA2' ' SG ' ' A' ' 21' ' ' CYS . . . -141.85 154.25 24.72 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.252 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -73.43 140.98 46.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' SG ' ' HB2' ' A' ' 48' ' ' ASP . 18.1 p -71.7 -179.65 2.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.742 0.306 . . . . 0.0 111.099 -177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 12.1 p-10 -75.73 -7.63 54.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.824 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 6.5 m-20 -64.49 -26.54 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -95.27 139.18 21.91 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.65 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.05 -29.72 66.59 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.334 2.69 . . . . 0.0 113.626 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -72.96 -25.19 60.92 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.809 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 54.1 mtmt 40.56 63.04 1.21 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.801 0.841 . . . . 0.0 113.102 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 5.8 m170 -76.98 -40.2 47.69 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.92 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p -75.04 -48.28 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.624 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.75 -27.91 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.418 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -68.13 -44.83 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -60.1 -42.82 95.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 0.0 110.212 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -61.26 -27.08 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.228 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.72 -48.94 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 p -93.35 -20.64 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.12 40.0 57.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.76 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -107.49 100.4 33.89 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 87.1 Cg_endo -85.8 6.7 5.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.024 2.483 . . . . 0.0 115.405 -166.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 HG21 HD11 ' A' ' 11' ' ' ILE . 24.7 mt -128.15 128.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.472 0.653 . . . . 0.0 112.259 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 30.8 pt -132.99 150.48 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.194 177.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.593 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.7 tt0 -116.36 144.58 44.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.462 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.57 107.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.257 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -93.08 -44.33 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.652 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.01 -36.65 11.53 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.09 -177.137 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.531 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 13.8 Cg_endo -93.26 123.79 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.19 1.927 . . . . 0.0 111.643 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.416 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 9.0 Cg_exo -72.74 44.3 0.75 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.238 2.626 . . . . 0.0 112.709 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.57 -52.47 5.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.966 0.412 . . . . 0.0 110.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.34 74.65 1.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.132 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -145.75 148.96 33.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.766 0.317 . . . . 0.0 110.689 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.03 139.67 14.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.103 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.406 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 65.4 t-105 -111.98 135.03 53.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.8 t -112.01 110.95 21.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -51.07 -59.8 3.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -173.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.4 HG21 ' OD1' ' A' ' 81' ' ' ASP . 18.4 m -68.72 -20.49 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.534 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -89.22 -37.13 15.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 0.0 110.134 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.87 32.67 10.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.287 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -120.94 148.29 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.17 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.419 ' O ' ' HB3' ' A' ' 1' ' ' MET . 47.4 ttm -110.59 129.13 55.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.711 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.482 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 37.1 p90 -119.98 169.63 10.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.691 0.281 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.63 135.43 33.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.436 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -135.98 27.03 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 p -59.21 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.78 -1.5 52.75 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -132.02 18.91 4.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.845 0.355 . . . . 0.0 110.395 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.593 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.7 ptm -72.83 148.81 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.638 -173.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.3 m -70.61 118.57 65.98 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.305 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.7 Cg_exo -66.44 138.42 50.37 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.738 2.292 . . . . 0.0 112.524 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -61.99 135.77 57.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.225 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.58 13.92 33.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.462 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.11 30.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.48 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.68 123.88 9.35 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.211 2.608 . . . . 0.0 112.101 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.08 129.07 36.59 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.565 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.85 112.19 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.609 2.206 . . . . 0.0 111.482 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.42 ' HD3' ' OXT' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -102.23 127.32 49.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -97.33 -47.61 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.383 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.42 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 9.7 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.571 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.816 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 85' ' ' PHE . 13.3 t -105.4 166.97 10.05 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt -65.6 -40.88 93.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.542 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.481 ' HA2' ' HB3' ' A' ' 85' ' ' PHE . . . 152.8 -148.27 18.91 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.31 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.0 p -160.89 162.96 32.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -58.27 -23.11 55.15 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -61.72 -24.72 66.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.568 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -60.62 -28.07 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -178.228 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.84 -3.43 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.57 -5.47 48.41 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.438 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 8' ' ' VAL . 42.2 pt -101.74 153.77 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.528 . . . . 0.0 110.953 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 163.48 23.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.848 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -71.13 99.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.91 160.51 2.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.934 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -101.73 124.15 41.55 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.153 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HB2' ' ND2' ' A' ' 95' ' ' ASN . 43.2 Cg_exo -55.62 120.26 7.94 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.957 2.438 . . . . 0.0 112.495 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 t -87.66 -14.38 40.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.99 46.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.219 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.97 -58.01 2.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.97 -151.01 24.78 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.452 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.0 t -77.06 108.82 10.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.68 -0.306 . . . . 0.0 110.217 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.9 -37.49 19.89 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.894 0.746 . . . . 0.0 111.475 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.4 tp10 -74.65 -49.26 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.61 ' HB3' ' O ' ' A' ' 29' ' ' SER . 97.7 m -65.53 -30.57 71.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.726 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 88.4 mt -66.16 -19.35 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.533 ' HG3' HG21 ' A' ' 27' ' ' ILE . 16.1 ptmt -73.78 -21.11 60.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 0.0 110.989 -177.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.533 HG21 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -127.2 -3.26 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.602 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.45 34.23 36.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.992 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.61 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 34.4 t -85.7 145.0 40.66 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.37 172.83 15.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.573 2.182 . . . . 0.0 112.042 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -150.09 158.17 43.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.72 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 33' ' ' HIS . 22.8 t -91.07 -64.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 110.328 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 95.7 m-70 -131.23 159.0 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.4 mt -111.81 142.73 43.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HD2' HD12 ' A' ' 66' ' ' ILE . 23.2 mmt180 -122.38 119.4 30.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.728 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG23 ' HB2' ' A' ' 67' ' ' GLU . 12.4 tt -97.09 121.31 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.893 0.854 . . . . 0.0 109.732 175.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HA ' HG21 ' A' ' 66' ' ' ILE . 43.5 t -78.66 115.68 18.51 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.214 -175.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.638 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 8.9 mmm180 -73.66 7.17 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -173.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -106.23 -23.73 12.5 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.689 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.85 -6.54 0.86 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.115 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.09 82.07 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.92 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 138.08 31.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.592 0.696 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.4 t -108.02 137.57 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.652 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.66 169.7 25.93 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.478 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.6 p -73.25 147.86 44.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 25.0 p -68.99 -173.26 0.47 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 111.119 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.534 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.7 p-10 -82.3 2.83 30.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.141 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.4 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 12.1 m-20 -79.17 -35.41 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.242 176.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -82.29 145.99 53.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.252 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.65 -36.54 32.62 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.745 2.963 . . . . 0.0 113.778 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -66.27 -42.93 87.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.534 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 91.0 mttt 51.68 40.13 26.72 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.203 -177.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -64.41 -23.3 67.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.666 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 57' ' ' HIS . . . -73.59 -42.11 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -74.17 -40.59 62.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.918 0.39 . . . . 0.0 110.528 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 52.5 mtp180 -66.06 -25.41 67.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 54' ' ' ALA . 69.2 t60 -61.78 -41.67 98.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.614 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.98 -36.58 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.291 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.48 -27.34 66.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.707 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.77 -58.29 2.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.93 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -84.04 -27.92 28.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.54 39.57 14.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.853 -175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -110.52 102.31 51.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 79.3 Cg_endo -86.33 2.52 7.28 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.089 2.526 . . . . 0.0 115.586 -167.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.493 HG22 HD11 ' A' ' 11' ' ' ILE . 57.7 mt -128.17 130.52 69.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.338 0.59 . . . . 0.0 112.33 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG21 ' HA ' ' A' ' 37' ' ' CYS . 34.5 pt -136.17 154.61 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.656 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.638 ' OE1' ' HD3' ' A' ' 38' ' ' ARG . 31.1 mt-10 -107.89 166.71 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.172 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.26 101.04 2.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 20.8 t80 -81.73 -22.2 37.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.057 0.456 . . . . 0.0 110.138 -177.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 3.6 t70 -76.63 -54.28 1.79 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.787 175.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 98.5 Cg_endo -95.42 101.81 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.118 1.879 . . . . 0.0 112.078 172.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 7.3 Cg_exo -74.22 50.24 2.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.491 2.794 . . . . 0.0 112.414 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.43 -23.78 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.4 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.82 76.26 1.31 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.481 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -151.96 145.19 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.71 133.8 10.92 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.228 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -107.77 131.71 54.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.2 t -112.31 114.18 26.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -53.11 -59.03 5.05 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -172.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG22 ' OD1' ' A' ' 81' ' ' ASP . 13.4 m -69.05 -27.89 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.503 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -80.5 -38.4 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.993 0.425 . . . . 0.0 110.302 -179.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 63.46 31.66 14.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.758 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 HG21 ' CB ' ' A' ' 81' ' ' ASP . 22.5 m -114.88 152.38 16.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.719 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 48.1 ttm -116.55 113.12 22.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' HB3' HG22 ' A' ' 2' ' ' THR . 24.6 p90 -105.75 151.15 24.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.714 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.816 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 12.0 t70 -75.88 122.69 24.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.628 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -118.5 23.05 11.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.415 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -62.85 -29.55 70.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.45 -20.58 61.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.406 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -133.24 23.97 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.002 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.8 ptp -62.91 147.9 48.96 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 m -99.33 106.26 38.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.889 173.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 7.1 Cg_exo -74.1 162.17 39.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.013 2.475 . . . . 0.0 112.472 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.445 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 51.2 p-80 -64.71 124.83 22.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 16' ' ' PRO . 5.7 p30 -81.04 -13.59 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.244 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.79 -173.97 33.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.039 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.62 121.36 8.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.189 2.593 . . . . 0.0 112.48 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.1 mt -109.42 124.52 33.65 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.77 111.84 2.5 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.388 2.059 . . . . 0.0 111.974 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -85.74 121.5 28.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.806 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.53 -43.5 6.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.427 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.304 -178.037 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.832 0.349 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 83' ' ' VAL . 13.5 t -138.41 -178.31 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.175 177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.5 ttp -63.81 141.02 58.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.42 155.67 53.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.187 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.486 ' O ' HG11 ' A' ' 8' ' ' VAL . 21.5 p -111.5 156.9 20.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -54.48 -22.01 11.59 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.97 -24.08 62.29 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.625 177.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.55 HG22 HD12 ' A' ' 11' ' ' ILE . 11.4 p -59.38 -27.53 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 111.015 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -10.95 60.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.454 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 -30.71 7.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.932 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.55 HD12 HG22 ' A' ' 8' ' ' VAL . 14.0 pt -83.27 147.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.724 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.58 -179.32 5.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.321 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 107.37 7.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 160.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.718 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 m -96.47 125.69 46.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.211 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.53 113.57 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 111.531 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.492 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 2.3 p -76.0 -9.9 58.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.629 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.13 152.53 28.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.988 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.34 -46.42 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.288 0.565 . . . . 0.0 109.66 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.33 -165.14 21.11 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.658 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.07 98.55 5.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.6 tp10 -66.49 90.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.0 tp10 167.01 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 41.1 m -67.28 -29.36 68.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.29 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.56 -17.62 64.12 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.605 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 13.9 ptpt -74.64 -26.6 59.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.466 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.539 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.8 pt -110.93 -20.27 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.09 29.3 8.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.061 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.625 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.7 t -87.28 143.19 34.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 5.4 Cg_exo -79.14 -166.84 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.093 2.529 . . . . 0.0 112.234 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 99' ' ' PRO . 12.4 p90 -161.69 170.17 20.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.976 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.5 -66.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.492 ' HD2' ' OD1' ' A' ' 70' ' ' ASP . 32.3 m80 -131.49 144.55 51.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.877 0.37 . . . . 0.0 110.223 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.8 mt -102.33 134.31 45.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.795 174.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.481 ' HD2' HD13 ' A' ' 66' ' ' ILE . 78.7 mtt180 -126.96 136.11 51.81 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 92' ' ' THR . 14.6 tt -97.05 131.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.697 0.761 . . . . 0.0 110.282 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.76 112.54 13.46 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.031 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -72.11 2.72 5.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 -58.66 1.97 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.899 0.381 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.23 -15.87 15.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.328 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.01 23.45 45.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.823 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.492 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 9.1 t-80 -94.59 137.81 33.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.759 0.779 . . . . 0.0 110.089 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -105.35 143.28 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.4 169.13 39.75 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.192 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 12.1 p -73.01 133.47 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.024 0.44 . . . . 0.0 109.909 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.532 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 p -87.28 -169.07 2.46 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.447 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' HB2' HG22 ' A' ' 55' ' ' THR . 28.0 t70 -58.5 -22.48 55.22 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.945 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.14 -34.98 59.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 m -104.43 148.07 35.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.285 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.2 -16.28 51.33 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.908 2.406 . . . . 0.0 113.312 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.4 t60 -76.84 -29.47 55.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 49' ' ' SER . 8.7 mtmt 49.15 44.17 22.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.38 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -68.17 -28.57 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 46' ' ' CYS . . . -75.97 -38.86 57.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.42 HG22 ' HB2' ' A' ' 47' ' ' ASP . 60.1 p -77.69 -42.16 35.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.991 -176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.1 -27.69 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.88 -47.08 84.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' HZ ' HG12 ' A' ' 80' ' ' VAL . 19.3 t80 -61.46 -40.02 93.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.631 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -60.95 -26.89 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.824 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.81 -51.88 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.008 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -81.05 -27.18 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.79 35.45 50.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.517 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -103.45 97.12 9.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.412 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.3 Cg_endo -80.24 -15.21 11.57 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.684 2.256 . . . . 0.0 114.839 -168.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.523 HG23 HD13 ' A' ' 11' ' ' ILE . 64.2 mt -110.12 126.27 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.634 0.731 . . . . 0.0 112.404 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.481 HD13 ' HD2' ' A' ' 35' ' ' ARG . 37.4 pt -130.94 160.57 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.442 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 40.1 tt0 -127.83 146.5 50.59 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.179 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.88 109.93 3.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.843 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.551 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.8 t80 -95.78 -40.81 9.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.667 0.27 . . . . 0.0 110.413 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.602 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 6.7 t70 -68.34 -47.55 37.3 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.57 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.1 Cg_endo -99.75 89.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.649 2.233 . . . . 0.0 111.29 167.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.602 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 2.8 Cg_exo -75.49 89.79 1.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.757 2.305 . . . . 0.0 112.037 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.9 mt-10 -113.08 -11.81 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.582 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 79.46 65.49 1.78 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 45.9 p-90 -142.17 149.33 39.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 110.805 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.57 118.03 4.14 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.746 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 74.1 t-105 -94.19 127.77 40.23 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.3 t -109.3 103.18 12.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -45.87 -56.62 5.18 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.574 HG22 ' OD1' ' A' ' 81' ' ' ASP . 16.3 m -67.39 -20.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.574 ' OD1' HG22 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -95.63 -35.19 11.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 0.0 110.174 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 63.52 29.44 15.33 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.358 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.536 ' HB ' HG22 ' A' ' 2' ' ' THR . 21.9 m -115.51 146.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.017 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.9 ttm -113.07 108.5 17.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -99.73 165.52 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.394 0.616 . . . . 0.0 111.325 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -132.94 23.94 4.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.665 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.54 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 10.4 t -57.86 -37.67 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.921 -172.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -86.68 0.04 55.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.563 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.7 15.71 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.73 0.3 . . . . 0.0 110.24 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.444 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.2 ptm -69.87 153.46 43.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.692 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.448 HG21 HD13 ' A' ' 36' ' ' ILE . 3.0 m -84.91 116.33 64.9 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.445 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.37 157.72 41.1 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.384 2.056 . . . . 0.0 112.037 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.551 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 28.4 p-80 -91.21 129.0 37.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -93.03 -10.39 36.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.4 175.47 28.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.099 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.39 116.63 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.674 2.916 . . . . 0.0 112.143 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -95.3 129.13 36.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.648 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 31' ' ' TRP . 24.7 Cg_endo -63.69 109.58 1.09 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.624 2.216 . . . . 0.0 112.126 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -85.48 114.31 22.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.688 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -102.61 -8.86 20.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.321 178.158 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -166.8 174.99 8.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.988 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -73.98 -32.49 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.386 0.613 . . . . 0.0 109.535 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.56 -88.74 1.25 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.916 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.8 p 179.44 177.27 0.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.5 -17.51 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 111.23 -177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.5 -26.41 68.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 14.7 t -68.0 -30.14 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 121.391 0.615 . . . . 0.0 109.809 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.79 60.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.588 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.4 -28.32 13.25 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.701 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 HG21 ' A' ' 65' ' ' ILE . 41.4 pt -76.15 151.31 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.214 0.53 . . . . 0.0 111.096 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.98 -170.42 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.634 -177.452 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -77.59 125.23 29.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 m -121.29 151.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.979 0.419 . . . . 0.0 111.668 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.6 m -93.21 126.78 49.51 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.512 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.9 130.91 38.92 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.057 2.504 . . . . 0.0 112.485 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -68.2 -37.94 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.8 173.03 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.85 -50.61 68.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.172 0.511 . . . . 0.0 109.935 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.93 -163.56 11.84 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.144 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 42.8 t -67.65 112.2 4.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -62.01 -29.49 70.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.103 0.478 . . . . 0.0 110.096 -176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -56.09 -53.26 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.93 176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 29' ' ' SER . 70.2 m -66.6 -36.31 82.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.559 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 93.8 mt -67.15 -15.71 63.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.939 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -67.84 -25.58 65.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 110.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 29' ' ' SER . 17.2 pt -124.18 -11.62 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.4 26.71 24.77 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.826 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 15.9 t -84.54 150.75 57.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.441 0.296 . . . . 0.0 110.523 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -73.66 -172.47 1.08 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.034 2.489 . . . . 0.0 112.497 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.699 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 20.1 p90 -157.16 179.88 8.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.546 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.488 HG12 HG23 ' A' ' 102' ' ' VAL . 55.9 t -106.26 -74.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -138.85 129.87 26.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.438 0.637 . . . . 0.0 111.027 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 50.9 mt -85.94 138.06 32.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.065 -176.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -112.7 130.68 55.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.972 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 69' ' ' TYR . 18.4 tt -97.45 127.23 49.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.844 0.83 . . . . 0.0 110.563 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.2 t -74.79 113.48 12.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.597 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -72.33 -0.27 11.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -96.86 -29.89 13.46 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.75 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.0 2.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.041 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.84 78.56 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.619 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.82 137.95 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.73 129.91 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.349 0.595 . . . . 0.0 110.859 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.33 125.14 3.1 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.92 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.699 ' SG ' ' HB2' ' A' ' 31' ' ' TRP . 6.0 t -72.14 142.31 49.12 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.3 t -60.9 164.82 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 111.779 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.546 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.2 p-10 -63.89 -13.81 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.358 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.11 -32.06 73.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 m -85.92 143.6 37.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.547 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -32.9 59.45 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.131 2.554 . . . . 0.0 113.158 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -65.03 -35.48 81.31 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.291 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 50.2 mtmt 47.89 53.8 10.92 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.571 0.544 . . . . 0.0 111.727 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -78.88 -24.9 43.93 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.048 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.15 77.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.803 0.335 . . . . 0.0 110.499 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 p -71.74 -48.55 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.518 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -60.51 -37.37 80.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -65.74 -41.57 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.393 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.566 ' HZ ' HG12 ' A' ' 80' ' ' VAL . 14.3 t80 -59.35 -44.58 92.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.36 -31.99 71.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.3 -58.45 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.974 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.2 p -84.19 -23.01 30.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.13 44.78 12.76 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.258 -174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -115.98 99.99 53.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 58' ' ' PHE . 98.8 Cg_endo -79.11 -18.43 11.29 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.865 2.377 . . . . 0.0 114.937 -167.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.517 HG21 HD12 ' A' ' 11' ' ' ILE . 46.4 mt -106.5 125.11 62.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.571 0.7 . . . . 0.0 112.609 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.19 159.61 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.829 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.08 168.67 17.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.6 101.32 2.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.147 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.662 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 25.1 t80 -91.89 -62.18 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.278 . . . . 0.0 111.457 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 4.4 t70 -64.9 -51.95 53.27 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 5.1 Cg_endo -88.51 108.02 0.52 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.151 1.9 . . . . 0.0 110.715 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.6 84.57 0.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.285 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.61 -37.43 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.91 75.92 1.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.609 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -157.3 146.51 20.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.811 0.338 . . . . 0.0 110.174 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.25 134.24 11.63 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.637 -176.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -113.51 128.89 56.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 6.9 t -110.83 107.6 17.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -52.48 -54.47 32.02 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.566 HG12 ' HZ ' ' A' ' 58' ' ' PHE . 11.5 m -62.86 -25.41 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.45 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.5 m-20 -93.06 -36.2 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.004 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 66.58 25.79 9.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.454 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -103.97 150.71 7.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.893 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -121.77 124.55 44.47 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 29.8 p90 -128.27 148.93 50.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.432 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -75.12 132.19 41.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 87' ' ' LEU . 22.3 mt -126.81 23.93 6.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.474 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -60.59 -25.97 66.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.261 0.553 . . . . 0.0 110.993 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.4 ' OD2' ' HG3' ' A' ' 90' ' ' ARG . 9.7 p-10 -81.2 -20.91 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.551 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG3' ' OD2' ' A' ' 89' ' ' ASP . 80.7 mtt180 -124.92 17.15 8.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.4 ptm -67.83 152.86 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.008 0.432 . . . . 0.0 111.841 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.8 m -108.42 105.12 56.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.784 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.96 149.92 85.91 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.937 2.424 . . . . 0.0 112.058 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.662 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 43.4 p-80 -61.05 133.48 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.001 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -71.17 -36.23 71.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.965 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.61 -160.77 8.79 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.812 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.11 112.33 2.71 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.234 2.623 . . . . 0.0 112.642 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -108.84 111.29 60.9 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.03 109.12 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.736 2.291 . . . . 0.0 111.754 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -74.89 109.13 8.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.83 -33.54 34.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.779 0.323 . . . . 0.0 110.509 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.488 HG23 HG12 ' A' ' 32' ' ' VAL . 3.4 m . . . . . 0 C--O 1.246 0.871 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.745 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.032 0.444 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -126.72 -168.11 1.82 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.226 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.6 ttt -66.43 -45.44 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.306 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.54 -116.27 2.61 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.273 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 26.4 p -174.94 178.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -65.44 -22.32 66.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.548 0.213 . . . . 0.0 111.349 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.9 m80 -60.79 -25.9 66.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.607 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG23 ' CZ ' ' A' ' 85' ' ' PHE . 16.4 t -64.6 -29.18 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.336 0.589 . . . . 0.0 110.278 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.14 -2.21 29.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.243 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.97 2.02 17.15 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.799 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.522 ' HB ' ' CB ' ' A' ' 38' ' ' ARG . 42.2 pt -101.07 153.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.57 168.0 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.208 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 121.2 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -107.24 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.238 0.542 . . . . 0.0 111.892 -174.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.8 m -126.77 126.04 24.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.328 176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 95' ' ' ASN . 25.9 Cg_exo -63.04 130.11 27.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.396 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -76.08 -12.32 60.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.45 -173.28 3.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD21 ' HA3' ' A' ' 96' ' ' GLY . 81.1 mt -95.89 -43.86 7.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.66 -124.87 2.5 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.637 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.779 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 63.5 m -80.79 98.47 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.02 -59.87 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.083 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 15.9 tt0 -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.554 0.216 . . . . 0.0 111.22 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 79.3 m -51.46 -29.59 16.78 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.9 mt -55.55 -30.43 60.77 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG3' HG21 ' A' ' 27' ' ' ILE . 19.9 ptmt -63.38 -28.74 70.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.541 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.541 HG21 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.55 4.12 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 111.469 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.79 40.19 95.52 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.087 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.635 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 30.0 t -80.48 123.45 82.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.17 172.32 16.48 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.923 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -152.06 159.54 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.612 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG23 ' HG ' ' A' ' 49' ' ' SER . 57.4 t -79.32 -61.39 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 92.3 m-70 -144.27 -175.57 4.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.747 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 45' ' ' CYS . 94.6 mt -131.24 142.82 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.579 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.79 147.33 46.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.079 174.138 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 69' ' ' TYR . 12.2 tt -129.42 140.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.569 -173.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -67.59 142.27 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.175 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.522 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 13.3 mmm180 -81.9 38.86 0.54 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 -66.81 0.4 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.518 -172.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.0 p -99.13 -5.45 30.12 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 13.74 67.38 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.856 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -91.91 128.67 37.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.278 -0.542 . . . . 0.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.28 130.45 36.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.637 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.72 149.62 17.65 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.799 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.779 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.3 p -79.9 153.02 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.639 0.22 . . . . 0.0 110.437 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.537 ' HB3' ' OD1' ' A' ' 48' ' ' ASP . 85.3 m -58.97 146.21 38.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.092 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.572 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 17.9 m-20 -79.08 -0.77 32.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.458 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 46' ' ' CYS . 2.3 m-20 -65.46 -27.92 68.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.031 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.782 ' HG ' HG23 ' A' ' 32' ' ' VAL . 16.4 m -85.74 142.7 37.16 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.415 175.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.33 -33.64 22.95 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 123.684 2.923 . . . . 0.0 113.806 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -39.88 91.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.161 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 44.2 mtmt 44.7 74.24 0.13 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.87 0.732 . . . . 0.0 112.354 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.525 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 1.4 m80 -79.08 -38.02 37.35 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.053 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.561 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . . . -64.91 -46.82 80.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 HG23 ' CG ' ' A' ' 47' ' ' ASP . 22.9 p -67.07 -45.15 78.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -67.08 -36.83 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.675 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.78 -40.52 88.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.992 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.71 -41.3 97.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -64.89 -32.01 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.042 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.44 -43.66 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.3 p -99.54 -28.11 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.7 43.15 9.3 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.151 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -110.75 95.88 25.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 99.0 Cg_endo -79.29 -17.76 11.44 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.786 2.324 . . . . 0.0 114.126 -171.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.5 mt -103.06 120.74 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.411 0.624 . . . . 0.0 111.805 -176.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.579 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 27.8 pt -121.61 131.72 72.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.144 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.607 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 35.6 tt0 -101.03 146.92 26.81 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.21 101.2 0.53 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.901 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.638 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 50.5 t80 -91.09 -57.73 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.536 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 5.3 t70 -72.14 -49.67 9.57 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.694 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.536 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 12.3 Cg_exo -70.89 112.76 3.36 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.813 1.675 . . . . 0.0 111.21 174.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.25 76.87 2.96 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.051 2.501 . . . . 0.0 112.216 -176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.01 -62.58 1.22 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.253 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 109.06 75.85 0.89 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.346 178.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -149.21 156.48 42.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.78 124.57 5.72 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.911 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 65.3 t-105 -99.69 137.61 37.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.4 t -118.71 106.56 12.7 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -50.66 -52.27 41.38 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.473 HG23 ' OD1' ' A' ' 81' ' ' ASP . 14.7 m -64.77 -19.74 26.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.473 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.1 m-20 -102.29 -31.81 10.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.91 28.12 14.5 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.606 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.13 155.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.104 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' HA ' ' A' ' 1' ' ' MET . 47.6 ttm -121.03 123.13 41.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.693 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.503 ' CZ ' HG23 ' A' ' 8' ' ' VAL . 38.3 p90 -112.52 162.6 15.46 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.529 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 133.35 35.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.6 mt -135.68 22.41 3.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.403 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.564 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 32.8 t -57.69 -33.06 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.977 -173.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.38 1.26 55.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 0.0 111.59 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -134.22 6.97 3.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.18 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.607 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.8 ptm -67.06 153.66 43.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -167.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -91.8 102.77 6.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.862 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 91' ' ' MET . 12.1 Cg_exo -70.96 157.8 57.09 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.663 2.242 . . . . 0.0 112.11 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.638 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 9.0 p80 -49.43 126.93 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.664 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 16' ' ' PRO . 43.5 t30 -63.48 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.849 -177.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.515 ' HA3' HD21 ' A' ' 19' ' ' LEU . . . -155.17 -153.69 6.61 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.623 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.04 136.85 28.01 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.963 2.442 . . . . 0.0 111.391 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.0 mt -128.23 124.36 22.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.23 106.8 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.675 2.25 . . . . 0.0 111.804 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -86.6 112.7 21.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -85.91 -52.88 5.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.333 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.411 HG21 HG12 ' A' ' 32' ' ' VAL . 2.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.321 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -137.08 -176.47 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.0 ttp -68.93 148.4 50.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.84 157.56 53.49 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.778 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.86 176.01 5.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -56.02 -28.25 56.57 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.01 -25.45 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.388 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.575 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 21.2 t -66.08 -30.14 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-O 121.227 0.537 . . . . 0.0 110.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -13.91 62.41 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.835 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -9.63 39.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.985 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.7 pt -88.03 154.62 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.962 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -129.46 174.25 9.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.9 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -85.48 108.91 18.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.3 166.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.386 0.612 . . . . 0.0 112.444 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.6 m -108.02 121.95 42.24 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.167 175.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.666 ' HG2' ' HH ' ' A' ' 69' ' ' TYR . 34.3 Cg_exo -59.78 123.64 13.69 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.842 2.361 . . . . 0.0 112.777 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 -33.08 74.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.551 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 166.83 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.361 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.23 -44.32 68.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.415 ' HA2' HD11 ' A' ' 34' ' ' LEU . . . -131.76 -152.64 7.22 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.441 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.0 t -79.32 97.49 6.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' HA ' HD11 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.56 -30.58 71.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.357 -174.646 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.52 -41.36 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.262 0.553 . . . . 0.0 109.978 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 29' ' ' SER . 87.7 m -67.99 -30.07 69.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 22' ' ' GLU . 91.5 mt -68.48 -19.59 64.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.878 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -76.61 -16.51 59.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.69 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.4 -1.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.85 47.16 33.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.045 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 45.1 t -96.23 112.18 58.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.754 0.311 . . . . 0.0 110.501 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.11 115.87 3.7 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.022 2.481 . . . . 0.0 112.213 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -86.22 155.64 20.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.45 -53.6 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.912 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -137.98 168.79 18.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 97.7 mt -128.84 135.09 48.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 111.132 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HD3' HD13 ' A' ' 66' ' ' ILE . 50.8 mtt180 -130.79 134.14 46.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.797 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG23 ' HB2' ' A' ' 69' ' ' TYR . 10.1 tt -125.43 137.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.549 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 m -67.72 147.1 53.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.342 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -86.65 36.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.275 0.56 . . . . 0.0 109.502 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -139.6 -67.57 0.44 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.287 -174.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.7 -19.69 23.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.15 83.43 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.412 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -87.39 128.12 35.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.53 131.1 37.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.437 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.01 148.46 18.14 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.675 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 29.9 p -73.07 140.18 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.934 0.367 . . . . 0.0 110.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.98 164.05 4.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.43 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.598 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.7 p-10 -72.2 -4.63 30.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.412 -175.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.18 -47.22 86.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -78.92 141.33 58.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.149 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.1 -19.48 56.62 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.244 2.629 . . . . 0.0 113.057 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.424 ' HD2' ' HB2' ' A' ' 53' ' ' HIS . 6.7 t60 -66.67 -35.61 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.954 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.598 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 59.7 mtmt 42.88 52.35 5.15 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.003 0.814 . . . . 0.0 112.654 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 51' ' ' HIS . 7.6 t-160 -73.19 -16.99 61.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -46.33 26.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.515 ' OG1' ' HB3' ' A' ' 52' ' ' LYS . 17.1 p -77.59 -47.59 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.693 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.75 -33.39 72.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 110.517 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.717 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.14 -44.42 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -28.38 67.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.117 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.81 -55.01 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.764 0.316 . . . . 0.0 111.677 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.0 p -79.35 -40.33 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.94 38.62 6.4 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.998 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -107.57 95.11 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.411 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 73.8 Cg_endo -75.94 -20.23 15.24 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 114.041 -170.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.3 mt -103.4 120.14 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.541 0.686 . . . . 0.0 111.683 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.423 HD13 ' HD3' ' A' ' 35' ' ' ARG . 21.2 pt -130.01 137.6 56.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.409 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.25 143.39 33.02 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.051 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.32 110.0 3.22 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.666 ' HH ' ' HG2' ' A' ' 16' ' ' PRO . 22.0 t80 -91.11 -37.77 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -172.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.1 p-10 -79.88 -33.62 0.8 Allowed Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.553 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 10.0 Cg_endo -90.68 122.41 0.86 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.894 1.729 . . . . 0.0 111.697 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.34 50.7 1.29 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.391 2.728 . . . . 0.0 112.459 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' HG3' ' HB2' ' A' ' 71' ' ' PRO . 39.2 mt-10 -98.36 -51.17 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 89.43 83.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.543 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -154.0 154.23 33.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.674 0.273 . . . . 0.0 110.523 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.07 121.32 5.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.885 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 70.7 t-105 -94.86 131.46 40.74 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.1 t -111.9 102.77 11.0 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CZ ' HD12 ' A' ' 66' ' ' ILE . 42.8 m-85 -43.56 -65.58 0.48 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -174.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.48 -22.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.98 -32.78 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 67.76 26.96 7.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.364 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.02 153.75 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.326 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.9 ttm -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.953 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.575 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 36.6 p90 -104.57 157.88 16.87 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -81.62 135.96 35.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 mt -133.73 17.78 3.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.387 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.52 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.0 p -61.24 -29.7 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.748 -172.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -83.58 -5.23 59.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.268 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -138.23 22.76 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.302 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.2 152.91 36.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.498 . . . . 0.0 112.295 -170.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 124.2 89.86 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.598 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.52 142.27 70.78 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.64 2.227 . . . . 0.0 112.405 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -70.22 125.37 26.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.531 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -73.2 -28.72 62.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.7 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.67 -175.71 38.95 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.912 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.25 112.97 3.57 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.033 2.488 . . . . 0.0 111.557 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 58.3 mt -89.84 126.35 57.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 20.4 Cg_exo -65.43 122.12 9.73 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.721 2.281 . . . . 0.0 111.351 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -103.43 110.29 22.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.11 -13.31 57.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.95 0.405 . . . . 0.0 110.622 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.753 177.675 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HG3' ' A' ' 3' ' ' MET . 23.0 m -121.9 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.139 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.512 ' HG3' HG22 ' A' ' 2' ' ' THR . 85.0 mtp -141.48 168.52 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 -174.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 -167.36 34.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 173.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.479 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 46.4 t -162.66 144.7 10.55 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.3 -0.53 . . . . 0.0 111.331 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -55.71 -26.94 47.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.135 0.574 . . . . 0.0 112.4 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.94 -24.06 49.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.231 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.5 OUTLIER -59.97 -28.78 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.121 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -9.57 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.33 -10.78 50.34 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.486 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 65' ' ' ILE . 47.9 pt -101.01 149.49 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -133.78 -179.58 5.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -80.18 104.08 10.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG23 ' HA2' ' A' ' 41' ' ' GLY . 16.9 m -98.73 172.0 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.203 -171.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.3 m -102.97 124.67 37.76 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.545 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.47 ' HG2' ' HH ' ' A' ' 69' ' ' TYR . 38.2 Cg_exo -60.94 114.89 2.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.827 2.351 . . . . 0.0 112.352 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -57.35 -39.53 76.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.9 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.32 167.38 20.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.956 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 HD23 ' HA3' ' A' ' 96' ' ' GLY . 53.3 mt -78.18 -38.83 42.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.638 0.732 . . . . 0.0 109.25 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' HD12 ' A' ' 34' ' ' LEU . . . -127.53 -150.21 7.34 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.704 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.601 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 6.7 p -81.62 103.85 11.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.253 0.526 . . . . 0.0 110.17 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.52 52.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.394 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 31.8 tp10 -56.61 -57.82 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.197 0.523 . . . . 0.0 110.6 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.601 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.932 0.396 . . . . 0.0 110.722 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 HD22 ' HZ3' ' A' ' 31' ' ' TRP . 63.4 mt -71.17 -15.85 62.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.3 ptmt -76.44 -18.47 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.232 -178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.461 HG23 ' HG3' ' A' ' 26' ' ' LYS . 14.3 pt -122.74 -3.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.33 26.52 51.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.825 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -91.27 147.21 35.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 122.67 -0.312 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.95 176.72 9.09 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.683 2.255 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.492 ' HZ3' HD22 ' A' ' 25' ' ' LEU . 15.7 p90 -142.28 164.97 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 t -101.56 -55.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -136.58 156.88 47.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.347 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.484 HD12 ' HA2' ' A' ' 20' ' ' GLY . 92.9 mt -122.69 139.33 54.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.7 mtt180 -125.5 121.2 33.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.487 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -96.46 120.91 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.998 0.904 . . . . 0.0 109.49 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 114.01 10.28 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.443 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 9.6 mmm180 -72.78 4.35 4.17 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.76 -54.18 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.311 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.9 -6.12 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.375 -173.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA2' HG23 ' A' ' 14' ' ' VAL . . . 77.59 17.32 79.15 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.662 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 137.82 33.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -88.88 169.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -176.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.05 149.64 14.08 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 p -76.48 138.29 40.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.73 0.3 . . . . 0.0 110.296 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 50.8 t -62.43 167.39 4.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.857 -178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.529 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 2.1 p30 -65.81 -9.57 29.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.401 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.9 -24.64 66.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.191 173.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -94.4 141.09 23.04 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.537 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.52 -31.76 50.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.323 2.682 . . . . 0.0 113.361 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -67.89 -43.69 78.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.602 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 48.6 mtmt 54.86 42.9 30.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.299 0.374 . . . . 0.0 111.194 -177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -68.33 -23.8 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.219 -174.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.74 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.6 0.238 . . . . 0.0 111.562 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -79.72 -43.03 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.801 0.334 . . . . 0.0 110.868 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -61.47 -34.51 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.834 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -56.81 -42.28 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.055 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CZ ' HG12 ' A' ' 80' ' ' VAL . 22.6 t80 -62.3 -40.63 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.981 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -65.06 -26.93 68.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.826 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 -46.08 8.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.199 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.9 p -93.78 -23.64 18.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.01 50.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.885 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -102.01 97.91 9.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.473 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.5 Cg_endo -84.33 9.56 4.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.198 2.598 . . . . 0.0 115.113 -166.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 11' ' ' ILE . 42.4 mt -131.91 127.71 58.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 111.957 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 77' ' ' TRP . 2.6 pp -126.85 154.78 37.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.091 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.689 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.6 tt0 -118.01 141.52 48.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.069 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.98 110.89 3.67 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.498 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 22.1 t80 -95.91 -31.09 13.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.631 0.253 . . . . 0.0 111.65 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.565 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.2 p-10 -81.6 -35.24 0.75 Allowed Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.059 -0.495 . . . . 0.0 112.2 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.565 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 1.5 Cg_endo -83.9 123.16 3.14 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.799 1.666 . . . . 0.0 110.888 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 11.9 Cg_exo -71.68 39.67 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.287 2.658 . . . . 0.0 112.932 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -98.33 -53.14 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.664 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.11 84.66 1.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.031 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.402 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 36.2 p-90 -147.13 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.39 143.43 14.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.141 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.489 ' HB3' HD12 ' A' ' 66' ' ' ILE . 48.3 t-105 -119.84 128.29 53.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.31 106.75 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -51.7 -61.38 2.29 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -65.37 -21.35 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.509 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 2.8 m-20 -89.61 -30.62 18.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 110.179 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.72 28.61 17.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.627 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG23 ' HB2' ' A' ' 81' ' ' ASP . 33.7 m -110.51 144.3 18.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.578 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.461 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 26.7 ttt -110.85 137.64 48.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.037 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.32 150.05 42.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 156.89 22.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.211 0.529 . . . . 0.0 110.755 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 90' ' ' ARG . 90.4 mt -126.6 45.6 2.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.532 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -47.51 -43.56 24.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -103.86 5.93 36.16 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HD2' HD21 ' A' ' 87' ' ' LEU . 60.5 mtt180 -115.81 -9.51 11.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.59 0.233 . . . . 0.0 110.398 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.689 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ptm -56.75 138.9 52.34 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.637 -170.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -93.96 116.21 66.15 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.456 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.28 146.96 52.26 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.242 1.962 . . . . 0.0 110.662 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.498 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 6.1 p-80 -62.15 130.64 46.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 110.445 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.47 -0.44 56.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.239 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.47 ' HA3' HD23 ' A' ' 19' ' ' LEU . . . -159.35 174.69 36.28 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.68 114.04 3.83 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.531 2.154 . . . . 0.0 112.139 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.5 mt -94.51 111.4 53.72 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.98 124.93 16.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.921 2.414 . . . . 0.0 112.363 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 100' ' ' ARG . 8.1 tmm_? -84.14 101.65 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.19 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -87.13 -26.01 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.036 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.012 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.51 ' SD ' ' HB2' ' A' ' 86' ' ' ASP . 61.5 ttp . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.512 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 15.0 t -136.81 -169.41 2.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.7 mmm -80.57 148.02 30.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.807 0.337 . . . . 0.0 111.065 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.65 144.67 45.85 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.393 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.479 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 29.3 p -97.45 165.57 11.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.32 -18.26 60.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.42 -24.86 61.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -58.69 -28.9 38.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 178.42 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.61 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.76 -12.55 59.17 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.688 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 HD11 HG21 ' A' ' 65' ' ' ILE . 46.5 pt -100.17 152.58 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.01 0.433 . . . . 0.0 110.526 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.62 177.49 7.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.096 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -77.91 104.69 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 m -93.99 176.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.242 -174.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.6 m -119.73 122.83 28.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 175.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 32.3 Cg_exo -60.69 119.7 7.01 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.827 2.352 . . . . 0.0 112.18 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -79.26 -22.64 44.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.07 148.35 50.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 19' ' ' LEU . 6.5 mp -79.06 -68.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.66 -152.79 28.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 45.9 t -82.93 107.65 15.68 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.516 -0.402 . . . . 0.0 110.806 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -45.16 -45.51 11.5 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.891 0.744 . . . . 0.0 111.517 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 tp10 -58.35 -59.15 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.106 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 29' ' ' SER . 63.2 m -61.33 -35.87 78.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 92.0 mt -68.52 -21.23 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 14.2 ptmt -71.41 -20.56 62.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.597 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.82 -6.78 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.473 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.35 44.04 7.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.977 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 42.2 t -110.19 147.78 36.98 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.42 174.74 12.29 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.411 2.074 . . . . 0.0 112.068 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -140.48 -179.65 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.416 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.08 -56.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 40.9 m80 -141.35 163.44 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.493 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 92.4 mt -117.56 138.97 51.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.098 0.475 . . . . 0.0 111.256 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' HD2' HD13 ' A' ' 66' ' ' ILE . 19.6 mmt85 -121.34 115.44 22.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.272 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.3 tt -96.35 128.58 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.888 0.851 . . . . 0.0 110.068 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -77.99 117.01 18.9 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.907 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.9 mmm180 -72.26 -0.95 13.48 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 m -95.05 -51.65 4.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.843 0.354 . . . . 0.0 111.41 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.8 p -117.69 1.36 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.368 -172.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.18 20.03 77.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.863 176.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -94.9 134.3 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.822 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.61 139.26 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.596 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.51 164.18 25.14 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.0 p -73.43 143.58 46.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.826 0.313 . . . . 0.0 110.236 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.422 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 34.5 t -64.59 170.34 4.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.7 p-10 -66.69 -16.52 64.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.708 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.995 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -83.7 133.24 46.89 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.07 -33.65 15.52 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 124.319 3.346 . . . . 0.0 114.51 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 23.7 m-70 -66.86 -38.0 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.047 -176.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 53.7 mtmt 43.85 44.44 5.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 0.0 112.552 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -75.19 -16.2 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.782 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.6 83.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.796 0.331 . . . . 0.0 110.594 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -71.71 -42.46 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.4 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -61.81 -30.06 70.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.151 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.84 -35.59 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.299 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.14 -27.56 64.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.558 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.69 -52.92 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.81 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.4 p -92.08 -40.66 10.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.66 35.34 6.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.659 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -104.97 102.74 37.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.2 Cg_endo -83.62 -0.3 9.7 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.124 2.549 . . . . 0.0 115.215 -166.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 HG21 HD11 ' A' ' 11' ' ' ILE . 49.5 mt -124.21 126.77 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.512 0.672 . . . . 0.0 112.349 -176.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.458 HD13 ' HD2' ' A' ' 35' ' ' ARG . 28.3 pt -127.72 158.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.151 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.46 ' HB3' HG23 ' A' ' 36' ' ' ILE . 38.3 tt0 -125.12 151.45 45.71 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.007 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.08 108.36 2.47 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.031 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -96.1 -37.37 10.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.0 110.645 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.607 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 15.8 t70 -71.34 -46.81 13.74 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 176.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.607 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 33.2 Cg_endo -98.55 90.01 0.06 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.538 2.158 . . . . 0.0 110.431 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 6.2 Cg_exo -78.13 49.34 2.96 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.46 2.773 . . . . 0.0 112.6 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -84.06 -3.93 58.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.668 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.499 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 77.86 68.93 1.45 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.484 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.573 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 60.4 p-90 -140.58 143.11 35.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 178.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.37 137.92 13.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -111.08 130.86 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -111.2 114.49 27.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -54.03 -65.07 0.63 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -172.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG21 ' OD1' ' A' ' 81' ' ' ASP . 15.9 m -64.92 -20.16 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -89.27 -34.81 16.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.133 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 63.96 28.74 14.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.273 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.512 ' HB ' ' CG2' ' A' ' 2' ' ' THR . 23.3 m -110.68 148.65 13.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.47 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.4 ttp -120.22 123.74 43.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.522 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -125.94 166.78 16.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.51 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 21.1 t70 -84.16 136.1 34.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.196 -177.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.5 mt -134.73 20.35 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.167 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.499 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 47.4 t -57.77 -33.44 68.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 111.745 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -94.63 6.43 48.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.848 0.356 . . . . 0.0 110.712 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -138.79 16.38 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -72.78 168.93 17.79 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.351 0.596 . . . . 0.0 112.49 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -88.53 129.28 49.72 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.03 122.59 9.2 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.225 1.95 . . . . 0.0 111.439 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -61.32 144.4 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.663 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -87.44 -33.35 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.77 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.64 -169.81 22.52 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.184 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.48 143.79 35.16 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.812 2.341 . . . . 0.0 112.055 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.2 mt -118.46 126.72 27.01 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.213 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.74 108.44 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 111.736 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -77.23 111.31 12.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.937 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -100.72 -22.7 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.0 179.049 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.436 0.636 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.8 m -111.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 4' ' ' GLY . 26.9 ttt -156.18 139.47 15.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.439 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' O ' ' HG2' ' A' ' 3' ' ' MET . . . -82.45 179.59 53.09 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.328 174.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.2 p -151.85 166.73 30.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.111 0.456 . . . . 0.0 110.188 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -59.24 -24.84 63.52 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.426 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 34.9 m170 -62.79 -25.11 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.753 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -64.45 -27.57 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.981 0.42 . . . . 0.0 110.72 -177.551 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 -0.59 18.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 110.961 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.29 11.84 24.01 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.485 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.753 HG12 ' O ' ' A' ' 8' ' ' VAL . 28.6 pt -100.36 152.23 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.167 0.508 . . . . 0.0 110.432 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -132.75 158.98 41.04 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.333 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 58.4 m -74.04 104.47 4.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' HA2' ' A' ' 41' ' ' GLY . 20.3 m -98.93 175.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.533 -170.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 38.0 m -109.2 126.95 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.111 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 24.6 Cg_exo -63.45 123.62 12.4 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.876 2.384 . . . . 0.0 112.157 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.9 m -63.57 -28.66 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 172.49 16.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.549 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 8.1 mp -65.82 -54.9 20.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.07 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.23 -144.43 12.1 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.436 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.76 122.18 22.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.612 0.244 . . . . 0.0 110.404 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.57 -44.48 72.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.737 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 42.4 tt0 -61.42 -45.02 96.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 29' ' ' SER . 92.7 m -63.92 -39.06 93.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.859 0.361 . . . . 0.0 111.072 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.97 -17.57 62.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 9.9 ptmt -85.81 -14.04 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.925 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -126.44 -10.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.85 48.84 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.428 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.558 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 29.2 t -109.1 145.72 32.35 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -80.32 -176.03 3.0 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.658 2.239 . . . . 0.0 112.523 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CD1' HD23 ' A' ' 34' ' ' LEU . 5.4 p90 -158.87 162.58 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.486 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG21 HG23 ' A' ' 102' ' ' VAL . 46.3 t -102.12 -64.81 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 175.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 35.5 m80 -123.39 158.13 31.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.93 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 HD23 ' CD1' ' A' ' 31' ' ' TRP . 2.9 mm? -119.85 132.15 55.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.614 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 98.9 mtt180 -117.64 116.87 27.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.21 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.477 HG23 ' HB3' ' A' ' 67' ' ' GLU . 15.8 tt -96.24 119.12 43.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 122.192 0.996 . . . . 0.0 109.394 175.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.43 109.8 6.38 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.465 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 14.6 mmm-85 -69.36 6.66 0.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -101.2 -49.96 3.92 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.13 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.5 p -118.34 -3.25 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.742 0.306 . . . . 0.0 111.49 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG22 ' A' ' 14' ' ' VAL . . . 81.26 8.35 87.33 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 114.389 174.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.432 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 11.1 t-80 -88.15 122.26 31.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 117.683 0.741 . . . . 0.0 109.81 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.49 130.58 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.326 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.08 156.51 22.6 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 4.6 p -73.42 143.34 46.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.915 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 35.6 t -66.54 171.37 5.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.077 -178.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 7.4 p-10 -76.87 0.25 21.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -71.51 -22.41 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.406 0.622 . . . . 0.0 109.776 171.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 m -99.4 144.57 28.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.014 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.35 -29.7 39.99 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.543 2.828 . . . . 0.0 113.355 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.449 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.1 m-70 -62.54 -49.1 76.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.952 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.55 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 51.9 mtmt 51.69 39.37 25.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.091 0.472 . . . . 0.0 111.358 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 -18.77 63.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.53 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . . . -64.11 -40.78 96.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.476 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -79.65 -40.03 30.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -56.73 -37.2 70.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.6 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.46 -44.65 96.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.406 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.16 -38.16 90.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.72 -31.78 72.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.4 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.13 -58.39 2.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -84.3 -30.08 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.61 41.53 12.9 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.816 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -107.0 100.28 31.23 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 84.3 Cg_endo -82.09 1.95 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.97 2.447 . . . . 0.0 114.772 -167.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -125.76 126.89 70.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.462 0.649 . . . . 0.0 111.897 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.61 155.59 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.861 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HB3' HG23 ' A' ' 36' ' ' ILE . 42.2 tt0 -117.34 140.94 48.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.034 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.85 106.72 1.84 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 11.2 t80 -93.24 -34.54 13.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.687 0.279 . . . . 0.0 111.409 -172.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.6 p-10 -73.62 -35.72 2.69 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.819 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.533 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 12.3 Cg_endo -92.7 117.67 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 121.99 1.794 . . . . 0.0 111.355 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.9 Cg_exo -70.81 25.17 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.393 2.729 . . . . 0.0 113.034 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 71' ' ' PRO . 35.8 mm-40 -77.79 -35.86 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.591 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 84.43 0.59 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.293 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -143.58 153.72 42.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.723 0.296 . . . . 0.0 110.493 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.33 135.52 10.3 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.123 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.501 ' HB3' HD11 ' A' ' 66' ' ' ILE . 66.0 t-105 -110.62 128.19 55.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.4 t -106.58 110.52 22.74 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -53.16 -60.15 3.66 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 m -67.05 -20.97 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -87.98 -38.96 15.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.169 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 65.64 28.69 11.16 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.825 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.6 m -115.63 136.38 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.867 174.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -100.69 124.5 46.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.944 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -117.91 171.06 8.32 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 146.6 24.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.96 0.41 . . . . 0.0 110.263 -175.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.4 mt -137.94 19.43 2.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.002 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -54.82 -38.74 67.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.214 -172.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.06 -21.13 54.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.815 0.341 . . . . 0.0 111.328 -175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -125.98 15.23 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -170.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 ptm -70.26 162.46 28.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 m -84.21 115.24 59.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.29 139.06 81.01 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.447 2.098 . . . . 0.0 111.363 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.474 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 36.9 p-80 -63.55 136.76 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.658 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' ' HA ' ' A' ' 19' ' ' LEU . 32.4 p-10 -85.18 -7.45 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.21 174.16 46.8 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.69 115.98 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.813 2.342 . . . . 0.0 111.864 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.6 mt -89.9 114.95 62.67 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.86 118.53 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.357 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.64 113.35 17.72 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.09 -46.99 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.291 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.498 HG23 HG21 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 C--O 1.245 0.85 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.33 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.974 0.416 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -96.22 -58.35 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.189 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 42.0 tpp -170.94 145.49 2.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.85 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.61 -177.52 46.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.101 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.487 ' O ' HG21 ' A' ' 8' ' ' VAL . 42.3 t -161.76 148.36 14.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.569 -0.371 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -56.8 -26.54 58.19 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -62.49 -26.32 68.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.193 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.62 ' O ' HG12 ' A' ' 11' ' ' ILE . 17.1 t -67.7 -30.87 50.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.15 0.5 . . . . 0.0 110.787 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.64 -6.57 41.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.546 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.84 0.19 22.97 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.157 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' ' 8' ' ' VAL . 40.1 pt -91.82 152.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 117.173 0.487 . . . . 0.0 111.184 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -112.55 176.67 4.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.47 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 29.8 m -95.83 123.12 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.0 m -110.38 167.28 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.345 0.593 . . . . 0.0 112.339 -170.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.5 m -103.04 125.16 36.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.48 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.656 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 31.8 Cg_exo -58.65 115.21 2.39 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.793 2.329 . . . . 0.0 112.77 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -56.52 -35.26 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.318 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.99 176.02 9.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.96 -44.57 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.806 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.23 -148.56 7.95 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -72.32 91.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.929 0.364 . . . . 0.0 110.133 175.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.69 -38.08 14.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.604 0.716 . . . . 0.0 110.428 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 69.6 tt0 -61.37 -65.52 0.68 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.449 -1.251 . . . . 0.0 111.521 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.14 -30.08 71.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.68 -27.2 68.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 19.9 ptmt -69.97 -22.8 63.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.777 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.531 HG23 ' HG3' ' A' ' 26' ' ' LYS . 21.8 pt -116.84 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.447 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.01 37.3 91.98 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.761 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -105.04 142.17 24.1 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.26 -169.05 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.554 2.169 . . . . 0.0 112.178 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.1 p90 -156.72 167.33 30.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.895 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 33' ' ' HIS . 22.3 t -96.33 -56.95 4.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.516 ' CD2' HG11 ' A' ' 32' ' ' VAL . 95.4 m-70 -133.07 176.59 8.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.362 176.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 69' ' ' TYR . 86.6 mt -128.83 137.84 51.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -174.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HD3' HD12 ' A' ' 66' ' ' ILE . 96.8 mtt180 -139.47 146.73 40.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.487 HG23 ' HB3' ' A' ' 67' ' ' GLU . 9.4 tt -135.43 136.07 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.7 m -64.03 147.98 50.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.072 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HD3' ' HB2' ' A' ' 67' ' ' GLU . 9.4 mmm180 -85.9 30.35 0.67 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 170.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -140.06 -74.58 0.35 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.582 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 17.7 p -85.0 -6.53 59.33 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.68 12.1 63.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.068 -0.587 . . . . 0.0 114.116 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -94.28 135.49 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.347 0.574 . . . . 0.0 110.442 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.98 139.05 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.506 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 166.63 26.29 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.57 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 18.7 p -78.35 140.01 38.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 m -80.59 178.55 8.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.334 -173.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.445 ' HB3' HG21 ' A' ' 55' ' ' THR . 12.2 p-10 -77.83 -11.36 59.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 0.0 110.317 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.51 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.4 p30 -77.01 -22.28 53.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 171.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -91.42 146.77 33.97 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.772 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 -40.66 17.61 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.997 3.131 . . . . 0.0 114.707 -173.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.476 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 7.9 m170 -67.92 -36.97 81.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 52' ' ' LYS . 9.7 mtmp? 49.35 43.99 23.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.118 0.567 . . . . 0.0 110.998 -175.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -79.14 -26.76 42.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.209 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.92 78.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 47' ' ' ASP . 22.3 p -73.79 -47.82 36.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.301 0.572 . . . . 0.0 110.746 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.64 -35.93 82.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.88 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -62.07 -36.44 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.538 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -62.1 -43.01 99.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.016 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -64.82 -34.09 77.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.54 -51.7 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.2 p -99.0 -26.44 14.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 47.33 5.81 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.363 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.402 ' CE1' ' HB3' ' A' ' 40' ' ' CYS . 44.5 m170 -110.9 94.72 21.13 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.07 -6.31 10.34 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.316 2.677 . . . . 0.0 114.752 -168.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.494 HG22 HD12 ' A' ' 11' ' ' ILE . 31.3 mt -122.75 128.72 75.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 111.584 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 77' ' ' TRP . 5.1 pt -124.85 138.27 54.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.456 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 7.3 tp10 -89.37 148.95 23.22 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.219 175.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.04 102.81 1.95 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.455 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.656 ' HE2' ' HB3' ' A' ' 16' ' ' PRO . 12.4 t80 -86.35 -33.38 20.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.973 0.416 . . . . 0.0 110.074 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.539 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -69.07 -50.97 19.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.757 175.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.8 Cg_endo -103.44 84.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.874 2.383 . . . . 0.0 111.345 166.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 4.0 Cg_exo -73.42 73.51 3.35 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.818 2.345 . . . . 0.0 111.956 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.28 -10.19 15.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.584 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.24 82.1 1.25 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.656 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.512 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 63.0 p-90 -158.39 151.99 23.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.963 0.411 . . . . 0.0 110.096 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 66' ' ' ILE . . . -125.84 134.6 8.77 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.771 -176.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.535 ' HB3' HG13 ' A' ' 66' ' ' ILE . 68.8 t-105 -101.73 127.63 48.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -100.76 105.76 17.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -46.67 -71.28 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.29 -24.78 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -173.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 3.9 m-20 -83.7 -31.18 26.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.001 0.429 . . . . 0.0 110.338 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.98 28.41 14.42 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.25 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.72 147.12 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.668 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -106.82 150.77 26.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.462 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.578 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 23.7 p90 -146.47 168.7 20.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.46 147.03 23.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.021 0.438 . . . . 0.0 110.439 -178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.26 35.07 3.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.602 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -55.22 -38.26 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.698 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.31 -20.77 62.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -127.64 24.26 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.767 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -59.83 141.94 54.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 67' ' ' GLU . 41.9 m -101.14 111.07 62.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.28 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.88 160.7 33.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.766 2.311 . . . . 0.0 112.39 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -66.62 151.79 46.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.573 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 41.2 t-20 -69.88 -53.88 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.488 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.48 -156.93 8.14 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.962 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.04 113.52 2.42 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.982 2.455 . . . . 0.0 112.104 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.1 mt -94.01 127.99 42.95 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.678 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.08 103.95 0.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.514 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -82.47 128.5 34.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.558 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.39 -57.52 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.245 0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 178.289 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.834 0.349 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.516 HG22 ' HB ' ' A' ' 83' ' ' VAL . 15.2 t -122.11 -168.54 1.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.3 mmt -106.66 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.543 0.211 . . . . 0.0 110.728 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.9 146.65 22.29 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.925 -0.58 . . . . 0.0 113.665 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 30.9 p -108.69 172.74 6.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -31.26 12.31 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.49 -23.91 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.59 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -61.5 -29.34 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -178.506 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.47 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.888 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.57 -32.35 11.71 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.741 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HG12 ' HA ' ' A' ' 8' ' ' VAL . 48.4 pt -75.8 152.61 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 111.395 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.05 174.28 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.405 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 119.16 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.417 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 16.4 m -107.87 156.26 8.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.62 -172.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -96.25 127.11 41.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.168 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HG3' ' HH ' ' A' ' 69' ' ' TYR . 31.4 Cg_endo -64.56 122.98 11.03 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.591 2.194 . . . . 0.0 111.967 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -66.89 -32.49 73.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 -178.07 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.763 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.26 -62.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.484 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' HA3' ' CZ2' ' A' ' 31' ' ' TRP . . . -109.05 -152.87 15.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.405 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 86.4 m -66.9 112.98 4.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.13 -46.23 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.965 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 41.0 tt0 -60.55 -46.05 91.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.462 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 29' ' ' SER . 71.3 m -65.63 -30.25 70.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.685 0.279 . . . . 0.0 111.226 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.7 -22.77 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.9 ptmt -73.0 -20.36 61.03 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.183 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.564 HG21 ' HG3' ' A' ' 26' ' ' LYS . 17.8 pt -125.62 -5.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.91 47.14 9.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.754 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 47.1 t -101.27 141.62 22.97 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 173.1 14.15 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.425 2.083 . . . . 0.0 112.12 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.44 ' CZ2' ' HA3' ' A' ' 20' ' ' GLY . 15.0 p90 -149.56 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.212 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.8 t -92.36 -68.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 39.5 m80 -126.74 146.73 50.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 0.0 110.285 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 ' CD1' ' HA2' ' A' ' 20' ' ' GLY . 88.0 mt -96.96 134.15 40.7 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.53 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.7 mtt180 -127.58 118.21 23.5 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 HD12 HG22 ' A' ' 92' ' ' THR . 12.4 tt -96.04 124.12 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.055 0.931 . . . . 0.0 109.808 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.4 t -72.79 112.94 9.29 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.749 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 10.2 mmm180 -72.92 8.69 1.43 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -171.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 m -107.94 -35.87 6.51 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.616 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.27 0.71 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.539 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 74.56 10.98 82.97 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.866 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -94.76 143.06 26.75 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.748 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.02 124.92 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.112 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.96 150.88 18.15 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.382 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 p -73.05 126.32 29.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.484 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 26.3 p -68.69 177.12 2.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.101 -174.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.552 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -73.68 -6.36 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.726 179.062 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -74.13 -22.66 59.36 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 t -90.73 147.6 36.54 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.19 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.56 -9.95 22.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.845 2.364 . . . . 0.0 112.627 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -80.61 -57.75 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.941 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 35.3 mtmt 58.46 41.37 22.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.649 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -73.23 -24.1 60.45 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.37 84.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.9 p -68.0 -45.94 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 -178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -66.63 -24.89 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.589 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.07 -34.52 78.23 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.869 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.79 -44.92 91.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.66 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -64.35 -26.87 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.869 0.366 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -56.78 3.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.989 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -92.1 -21.34 20.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.4 41.06 31.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.996 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.67 101.52 43.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.7 Cg_endo -81.45 -10.54 12.11 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.908 2.405 . . . . 0.0 115.285 -166.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.65 126.96 74.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.545 0.688 . . . . 0.0 112.397 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.51 HD11 ' OH ' ' A' ' 79' ' ' TYR . 31.7 pt -128.0 142.86 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.984 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' HG23 ' A' ' 36' ' ' ILE . 30.9 tt0 -101.07 145.93 28.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.29 100.24 1.14 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 174.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.705 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.3 t80 -83.09 -39.46 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.934 0.397 . . . . 0.0 110.58 -173.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 17.5 t70 -76.89 -52.8 1.91 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.802 178.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 31.7 Cg_exo -59.42 119.48 6.74 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.697 1.598 . . . . 0.0 111.961 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 23.1 Cg_exo -66.06 -1.8 5.83 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.251 2.634 . . . . 0.0 112.69 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 35.0 mt-10 -62.1 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.64 79.78 0.65 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.966 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.423 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 29.6 p-90 -138.29 165.63 26.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.823 0.344 . . . . 0.0 111.077 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.32 136.32 9.75 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.831 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -104.83 132.33 51.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.0 t -115.23 117.35 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.51 ' OH ' HD11 ' A' ' 66' ' ' ILE . 86.8 m-85 -58.07 -67.24 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -63.09 -21.35 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.81 -34.89 20.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 64.45 27.23 13.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.665 -175.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 2' ' ' THR . 28.1 m -114.71 142.08 28.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.513 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.2 ttm -108.79 113.22 25.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -110.81 152.49 26.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.89 135.09 43.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.21 21.01 4.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.214 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -59.69 -33.8 72.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 111.916 -171.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.05 -20.15 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.174 0.511 . . . . 0.0 110.746 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 90' ' ' ARG . 44.7 mtt180 -122.92 22.58 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.0 ptm -84.2 167.21 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.317 0.58 . . . . 0.0 112.017 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.467 HG22 HD12 ' A' ' 36' ' ' ILE . 27.9 m -87.07 127.68 58.52 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.479 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_exo -66.41 136.42 43.21 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.81 2.34 . . . . 0.0 111.887 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.705 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 42.2 p-80 -78.64 129.56 34.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.21 6.23 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.533 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.36 173.75 37.22 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.72 109.54 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.628 2.219 . . . . 0.0 111.434 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 64.3 mt -80.65 131.21 61.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.365 -176.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 15.2 Cg_exo -68.8 107.9 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.825 2.35 . . . . 0.0 111.989 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -104.11 111.59 24.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -83.72 -25.66 30.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.082 -171.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.523 -175.869 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.521 HG23 ' HB ' ' A' ' 83' ' ' VAL . 17.6 m -149.07 145.15 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.815 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.0 ttm -65.36 130.16 42.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.293 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 122.67 30.21 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.654 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 p -71.37 169.13 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -57.61 -26.08 61.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 33.2 m170 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.3 176.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.83 -27.34 40.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-O 121.112 0.482 . . . . 0.0 110.393 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.13 -3.84 41.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.8 -3.55 39.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.863 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 pt -88.07 151.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -117.99 167.49 11.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 m -80.38 99.43 7.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.433 0.635 . . . . 0.0 109.681 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -95.8 166.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.805 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 m -114.37 129.59 24.75 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.235 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.47 131.8 48.37 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.099 2.533 . . . . 0.0 112.927 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.621 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 1.2 m -61.89 -40.65 96.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.62 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 -179.08 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.536 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -78.53 -47.99 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.453 ' HA2' HD11 ' A' ' 34' ' ' LEU . . . -111.66 -165.0 17.85 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.716 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.729 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 42.8 t -78.85 104.15 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.99 -43.02 50.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.533 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 45.4 tt0 -52.88 -57.4 10.39 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.97 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 27.9 p -70.39 -28.26 64.95 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.199 -0.313 . . . . 0.0 111.146 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.4 -28.18 66.68 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.2 ptmt -69.05 -23.84 64.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.554 HG22 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -118.93 2.43 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 0.0 111.232 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.39 46.86 61.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.339 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.74 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 43.8 t -95.82 123.6 55.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 12.7 Cg_exo -69.18 129.59 18.49 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 0.0 112.349 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.451 ' HE3' ' HG ' ' A' ' 24' ' ' CYS . 21.0 p90 -94.77 161.35 14.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.275 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.76 -51.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.158 0.504 . . . . 0.0 109.821 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' HB3' ' NH2' ' A' ' 35' ' ' ARG . 87.5 m-70 -138.37 150.49 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.347 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 HD11 ' HA2' ' A' ' 20' ' ' GLY . 89.6 mt -125.79 135.45 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -127.14 140.12 52.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.014 0.435 . . . . 0.0 110.343 175.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -102.74 124.8 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.75 109.58 7.37 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.358 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.16 1.87 3.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.134 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -95.86 -54.64 3.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.06 0.457 . . . . 0.0 111.177 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.5 -16.85 14.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.105 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.01 13.8 57.19 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.62 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.621 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 6.2 t-80 -91.09 132.75 35.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.353 0.576 . . . . 0.0 110.479 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.9 139.91 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.536 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.75 150.81 22.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.121 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 8.7 p -73.59 148.65 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.9 175.63 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.794 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.523 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.0 p-10 -70.01 -20.35 63.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.82 -24.24 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.355 0.598 . . . . 0.0 110.157 175.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 m -86.74 148.94 47.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.492 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.56 4.23 0.88 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.246 2.63 . . . . 0.0 114.435 -170.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.8 m-70 -109.86 -27.57 9.21 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.344 . . . . 0.0 111.695 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 44.0 mtmt 49.62 41.63 21.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.043 0.449 . . . . 0.0 110.757 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -69.31 -21.9 63.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.311 -171.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.78 -46.56 30.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.327 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 p -72.05 -45.31 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.34 -39.57 67.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.812 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.86 -42.71 97.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.269 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.75 -42.02 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -64.92 -27.7 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.47 -44.64 11.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -98.07 -31.95 11.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.55 35.47 13.87 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.797 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -103.21 98.73 12.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.7 Cg_endo -84.05 7.14 5.36 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.977 2.451 . . . . 0.0 115.077 -166.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.7 124.91 60.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.396 0.617 . . . . 0.0 112.019 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 35' ' ' ARG . 38.6 pt -126.33 141.31 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.935 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB3' HG21 ' A' ' 36' ' ' ILE . 37.1 tt0 -103.05 143.87 32.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.162 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.52 104.71 1.19 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.644 177.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -93.63 -31.26 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.529 0.204 . . . . 0.0 111.051 -175.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.566 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.9 p-10 -79.28 -34.63 0.94 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.907 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 33.8 Cg_endo -99.01 109.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.357 2.038 . . . . 0.0 112.084 172.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.76 34.19 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 123.323 2.682 . . . . 0.0 113.056 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.8 mt-10 -78.91 -29.21 44.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.336 0.588 . . . . 0.0 109.789 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.86 76.8 1.19 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.466 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 57.3 p-90 -152.08 158.62 43.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 177.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.6 145.12 16.8 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.926 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -109.23 132.32 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -112.11 110.29 20.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -52.21 -60.13 3.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG21 ' OD1' ' A' ' 81' ' ' ASP . 19.0 m -66.99 -20.53 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -90.57 -31.9 16.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 110.326 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 68.81 20.84 7.91 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.778 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.521 ' HB ' HG23 ' A' ' 2' ' ' THR . 33.4 m -113.73 145.92 18.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.903 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.0 ttp -110.5 107.96 17.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.56 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.0 p90 -103.28 167.59 9.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.29 132.41 33.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.098 0.475 . . . . 0.0 111.448 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.0 mt -126.7 27.06 6.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.98 -15.26 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.604 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -103.48 -5.86 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.514 0.197 . . . . 0.0 111.28 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -132.64 8.48 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.623 -176.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -60.24 145.07 48.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.299 0.571 . . . . 0.0 112.17 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.9 m -71.42 132.74 85.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.299 -176.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.5 Cg_exo -66.55 117.45 4.74 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.658 2.239 . . . . 0.0 111.58 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -61.84 141.76 57.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.45 -1.09 57.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.54 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.17 179.15 42.88 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.161 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.92 115.7 3.84 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.253 2.635 . . . . 0.0 111.77 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.94 127.88 67.81 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 113.47 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.685 2.256 . . . . 0.0 111.733 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.89 106.65 18.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.31 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -84.41 -29.05 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 177.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.178 -179.313 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.767 0.317 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 p -115.02 -174.9 2.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.471 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.9 tpp -85.04 -38.61 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.72 18.32 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.743 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.8 p -166.8 173.71 9.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -56.46 -29.49 61.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.852 0.358 . . . . 0.0 111.88 -177.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -64.1 -24.61 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.515 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -62.2 -28.25 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.76 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.11 0.85 8.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.703 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.89 7.45 13.13 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.099 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 8' ' ' VAL . 32.1 pt -101.58 146.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.225 0.513 . . . . 0.0 111.134 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -132.54 172.49 12.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.83 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -80.36 99.63 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 m -91.14 157.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.236 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -83.17 123.89 76.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.241 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -61.8 119.21 6.22 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.678 2.252 . . . . 0.0 112.107 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -75.77 -28.43 58.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.9 162.44 35.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.963 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD23 ' HA3' ' A' ' 96' ' ' GLY . 86.9 mt -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.517 ' HA2' HD12 ' A' ' 34' ' ' LEU . . . -147.89 -128.23 1.77 Allowed Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.335 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -88.54 105.07 17.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -38.65 84.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.09 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 44.0 tt0 -67.82 -46.01 73.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 29' ' ' SER . 83.2 m -58.61 -33.54 70.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.01 -15.89 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.1 ptmt -77.69 -22.43 50.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 -178.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 HG21 ' HG3' ' A' ' 26' ' ' LYS . 26.6 pt -123.23 1.04 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.597 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.19 37.84 54.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.279 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 36.8 t -88.49 129.7 48.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.651 0.262 . . . . 0.0 110.425 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.43 139.39 20.67 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.522 2.148 . . . . 0.0 112.221 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.405 ' CE2' HD11 ' A' ' 34' ' ' LEU . 15.0 p90 -107.97 174.38 5.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.617 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 40.2 t -104.68 -59.04 3.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.35 157.81 45.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.68 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA2' ' A' ' 20' ' ' GLY . 91.7 mt -128.04 146.99 50.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.812 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.741 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -135.4 134.34 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.138 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.7 tt -97.61 122.15 48.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.862 0.839 . . . . 0.0 109.322 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.1 109.19 9.56 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.144 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.1 6.41 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 m -102.07 -33.86 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.484 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.53 -17.64 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.841 -173.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.99 9.1 59.88 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.507 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -88.21 127.53 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.259 -0.553 . . . . 0.0 109.889 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.3 t -95.19 136.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.78 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.51 161.99 27.33 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.932 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' HA ' HD21 ' A' ' 34' ' ' LEU . 28.3 p -76.14 145.2 40.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' HA ' ' HB1' ' A' ' 54' ' ' ALA . 74.1 m -72.73 -178.78 2.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.847 0.356 . . . . 0.0 111.354 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.21 -32.88 73.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.98 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.617 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -56.82 -32.02 65.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.822 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 15.3 m -86.02 136.61 36.0 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.142 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.45 -26.0 60.89 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.482 2.788 . . . . 0.0 114.302 -171.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -80.13 -14.06 58.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.27 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 37.59 54.68 1.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -76.18 -16.0 59.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.141 -0.349 . . . . 0.0 111.321 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.741 ' HA ' ' CZ ' ' A' ' 35' ' ' ARG . . . -69.18 -47.5 64.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.283 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -76.08 -49.81 16.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.572 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -62.39 -36.92 83.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.64 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -63.33 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.781 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.49 -44.84 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -70.72 -27.53 64.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.29 -43.36 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.183 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.3 p -103.56 -37.1 7.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.71 44.71 4.79 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.362 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -114.91 99.07 51.6 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.4 Cg_endo -83.79 0.82 9.19 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.963 2.442 . . . . 0.0 115.026 -167.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.66 130.54 72.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.57 0.7 . . . . 0.0 112.058 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 HG23 ' HE ' ' A' ' 35' ' ' ARG . 42.9 pt -131.59 155.26 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.196 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 38.7 tt0 -117.21 142.68 46.74 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.97 102.45 0.85 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.844 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.2 t80 -88.18 -30.85 19.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 0.0 110.434 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.441 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -79.32 -54.93 0.94 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.36 176.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 73' ' ' GLU . 41.7 Cg_endo -68.43 119.8 6.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.605 1.537 . . . . 0.0 111.899 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.68 36.99 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.166 2.577 . . . . 0.0 113.0 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.7 mt-10 -98.83 -37.56 9.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.55 75.47 0.89 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.022 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.441 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 41.0 p-90 -139.38 159.76 41.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.754 0.312 . . . . 0.0 110.637 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.65 141.11 14.81 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.283 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -112.84 135.0 54.09 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 5.8 t -112.28 111.75 22.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.451 ' HH ' HD12 ' A' ' 66' ' ' ILE . 78.3 m-85 -52.74 -63.05 1.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -170.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.64 -21.55 27.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.535 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.29 -37.8 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.025 0.44 . . . . 0.0 110.121 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 66.65 22.05 10.52 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.638 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -105.76 137.84 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.07 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.0 ttm -107.51 129.63 54.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.806 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -129.68 151.06 50.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 143.54 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.165 0.507 . . . . 0.0 110.643 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -126.46 24.04 6.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.656 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -53.93 -31.0 48.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.53 -20.8 39.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.752 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 90' ' ' ARG . 50.7 mtt180 -118.46 12.02 13.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.571 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.9 ptm -65.13 142.71 58.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.241 0.543 . . . . 0.0 112.299 -168.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 4.2 m -84.47 120.4 74.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.401 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 92' ' ' THR . 29.2 Cg_endo -63.91 134.76 44.78 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.384 2.056 . . . . 0.0 111.449 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.534 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 9.3 p80 -72.78 125.09 26.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.61 13.93 7.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.683 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.482 ' HA3' HD23 ' A' ' 19' ' ' LEU . . . -165.92 168.19 39.58 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.803 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.53 93.14 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.001 2.467 . . . . 0.0 111.07 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 48.1 mt -75.85 118.11 68.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -175.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 13.0 Cg_exo -69.65 104.91 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.938 2.425 . . . . 0.0 112.737 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -80.52 118.34 22.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.38 -29.7 16.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.496 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.371 -179.042 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.48 HG23 ' HB3' ' A' ' 85' ' ' PHE . 10.4 t -135.89 -177.85 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.3 mtp -83.44 -21.26 32.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.994 0.426 . . . . 0.0 110.438 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.8 -154.87 21.51 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.472 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.6 p -149.04 168.52 22.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.41 -23.13 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 31.4 m170 -58.33 -25.62 62.15 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 174.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.85 -27.33 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.042 -176.598 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -6.22 35.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.717 0.294 . . . . 0.0 111.608 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.05 -1.08 45.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.737 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.665 HG12 ' O ' ' A' ' 8' ' ' VAL . 35.0 pt -101.28 152.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.686 0.279 . . . . 0.0 110.541 178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 -175.71 3.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.178 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 m -81.82 101.46 10.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 37' ' ' CYS . 27.5 m -95.84 165.16 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 m -121.34 127.99 25.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.881 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.74 142.34 35.5 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.48 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -111.42 8.21 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.13 145.82 27.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.37 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD22 ' HA3' ' A' ' 96' ' ' GLY . 83.0 mt -69.23 -49.3 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.081 0.467 . . . . 0.0 110.435 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.32 -142.04 4.94 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.336 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 53.9 t -74.48 105.12 5.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.351 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -46.4 -44.92 17.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.797 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp10 -61.19 -51.18 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.244 0.545 . . . . 0.0 110.648 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 29' ' ' SER . 61.2 m -66.22 -33.56 76.03 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.0 -21.56 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -72.97 -23.9 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.166 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.533 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.71 -10.46 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.44 52.3 3.8 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.266 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.539 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 21.6 t -105.87 143.07 26.14 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.21 162.67 39.99 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.528 2.152 . . . . 0.0 112.542 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -145.13 163.78 33.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.632 HG12 ' CD2' ' A' ' 33' ' ' HIS . 47.9 t -89.15 -68.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.273 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' CD2' HG12 ' A' ' 32' ' ' VAL . 99.1 m-70 -139.77 166.89 23.4 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -111.69 147.16 36.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 0.0 111.571 -174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 99.6 mtt180 -125.63 135.76 52.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.766 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -125.9 138.78 53.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' O ' HG22 ' A' ' 14' ' ' VAL . 72.9 m -65.49 147.47 53.37 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.218 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.553 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 8.3 mmm180 -88.26 6.49 36.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.445 0.64 . . . . 0.0 109.492 168.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.02 -67.77 0.85 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.458 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.31 -34.31 11.12 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.43 10.9 55.28 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.422 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -82.46 130.53 35.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.72 144.83 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.6 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.14 171.75 30.06 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.446 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 31.5 p -89.78 155.75 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.345 0.573 . . . . 0.0 110.292 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 78.3 m -58.7 160.17 5.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 175.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.41 -5.0 45.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.04 -44.91 87.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.49 ' HG ' HG21 ' A' ' 32' ' ' VAL . 19.7 m -71.7 131.22 86.23 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.79 176.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -42.75 -39.2 7.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 124.311 3.341 . . . . 0.0 114.71 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -42.2 76.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.564 0.221 . . . . 0.0 111.509 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt 48.14 53.03 12.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.392 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -69.14 -27.99 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.207 -174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.28 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.405 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -72.26 -40.47 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.182 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 56' ' ' ARG . 54.3 mtt180 -58.23 -47.73 82.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.155 0.502 . . . . 0.0 109.786 175.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -64.48 -36.2 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.024 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.21 -46.37 85.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.591 0.234 . . . . 0.0 110.376 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.79 0.329 . . . . 0.0 111.091 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.28 26.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.127 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -108.6 -6.95 15.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.39 54.52 31.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.382 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -118.22 91.89 41.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.5 -15.58 13.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.012 2.475 . . . . 0.0 113.911 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 63.9 mt -105.59 119.96 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.745 0.783 . . . . 0.0 111.525 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.454 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 24.6 pt -121.94 168.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.03 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -135.16 151.59 50.81 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.99 101.31 0.64 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.884 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 52.0 t80 -80.72 -31.54 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.224 0.535 . . . . 0.0 110.917 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 18.1 t70 -78.87 -51.35 1.37 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 4.2 Cg_exo -78.02 119.84 4.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.117 1.878 . . . . 0.0 111.793 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.1 Cg_exo -74.71 37.03 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.303 2.669 . . . . 0.0 112.964 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -90.49 -50.12 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.221 0.534 . . . . 0.0 110.661 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.37 69.83 1.02 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.062 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -133.64 146.48 50.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.33 151.71 18.34 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.67 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.426 ' HB3' HG13 ' A' ' 66' ' ' ILE . 61.0 t-105 -125.39 134.08 52.28 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 11.1 t -109.48 102.86 11.7 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -47.76 -53.57 14.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.464 HG23 ' OD1' ' A' ' 81' ' ' ASP . 20.2 m -68.09 -21.3 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 8.1 m-20 -96.31 -31.63 12.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.601 0.238 . . . . 0.0 110.709 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 69.57 23.05 6.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.807 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.62 145.07 18.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttm -108.01 130.35 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.648 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.48 ' HB3' HG23 ' A' ' 2' ' ' THR . 24.4 p90 -130.62 161.3 31.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.877 0.37 . . . . 0.0 111.434 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.01 128.0 33.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.522 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.26 18.23 6.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.298 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 t -61.65 -24.12 66.51 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -171.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -79.69 -11.23 59.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.002 0.43 . . . . 0.0 110.957 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -127.6 4.99 6.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 -176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.501 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 24.8 ptm -52.9 141.84 20.84 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.954 0.784 . . . . 0.0 113.059 -166.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.509 ' HG1' ' NH1' ' A' ' 38' ' ' ARG . 32.0 m -102.2 99.07 11.6 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.992 175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 91' ' ' MET . 15.2 Cg_exo -69.02 158.04 59.48 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.674 2.25 . . . . 0.0 111.457 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 p-80 -74.95 136.17 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.3 p-10 -72.81 -16.17 61.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.068 -172.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.501 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -146.49 164.95 28.38 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.023 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.12 113.58 2.46 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.636 2.224 . . . . 0.0 111.505 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.7 mt -80.88 129.32 68.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.12 123.97 14.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.803 2.335 . . . . 0.0 111.906 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -90.67 97.82 11.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.751 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -82.16 -47.55 12.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.909 0.385 . . . . 0.0 110.057 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.228 -179.757 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -21.89 11.22 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.97 -30.34 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.672 0.272 . . . . 0.0 111.408 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.1 t -67.62 -29.43 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 110.443 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.95 -12.62 60.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.85 7.21 23.83 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.971 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 8' ' ' VAL . 48.2 pt -100.62 147.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.154 0.477 . . . . 0.0 110.522 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.31 -175.07 3.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.546 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 50.6 m -86.72 121.82 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.803 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.4 -174.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.523 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -124.2 127.47 25.32 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 27.1 Cg_exo -63.25 147.82 93.54 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.083 2.522 . . . . 0.0 112.412 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 10.6 t -80.08 -31.01 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . . . -140.48 -170.85 3.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.726 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' HA3' ' A' ' 96' ' ' GLY . 35.1 mt -91.15 7.18 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.333 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -178.9 -155.86 15.76 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.053 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 24' ' ' CYS . 42.3 t -69.72 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 18' ' ' ALA . 19.3 mp0 -55.87 -39.88 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.18 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.08 -43.15 93.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 21' ' ' CYS . 69.0 m -67.91 -33.07 73.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.976 0.417 . . . . 0.0 110.476 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.09 -23.89 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.4 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -70.83 -20.91 62.51 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 110.483 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.23 8.25 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.85 44.3 96.07 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.443 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 m -113.85 145.5 33.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.93 167.69 26.66 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.916 2.41 . . . . 0.0 112.827 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -134.78 166.58 22.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.83 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' CD2' ' A' ' 33' ' ' HIS . 43.1 t -90.55 -64.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.5 m-70 -142.62 163.78 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 94.4 mt -120.68 139.52 52.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.482 . . . . 0.0 112.086 -171.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' HD13 ' A' ' 66' ' ' ILE . 99.2 mtt180 -124.4 120.48 32.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.534 175.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.5 tt -110.94 137.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.96 148.15 52.25 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.604 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.2 mmm180 -87.66 23.65 1.91 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.221 0.534 . . . . 0.0 109.672 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -129.17 -73.07 0.58 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.407 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -85.1 -16.84 39.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.713 0.292 . . . . 0.0 111.436 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' PRO . . . 77.08 13.58 83.51 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.34 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -90.07 142.01 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 44' ' ' GLY . 3.6 t -97.44 166.37 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.457 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -170.99 147.81 10.73 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.606 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 4.8 p -72.93 145.51 46.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.864 0.332 . . . . 0.0 110.217 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 8.6 p -64.39 169.98 4.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.718 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.4 p-10 -71.82 -16.68 62.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.447 . . . . 0.0 110.06 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 34.0 t70 -65.67 -26.43 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.709 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -84.49 140.91 38.76 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.217 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.81 -19.84 69.65 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.603 2.202 . . . . 0.0 112.89 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.666 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.2 t60 -75.59 -35.85 60.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 98.1 mttt 49.81 58.88 4.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.46 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -77.36 -36.85 53.26 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.837 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.96 86.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.73 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 17.7 p -75.31 -46.94 30.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.543 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.75 -38.28 90.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -63.54 -41.83 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.487 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -56.62 -48.1 78.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.783 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.6 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.22 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -107.37 -30.35 8.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.63 45.73 5.68 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.986 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -116.06 93.3 38.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 89.5 Cg_endo -78.66 -18.1 12.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.905 2.403 . . . . 0.0 114.352 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 11' ' ' ILE . 51.3 mt -106.87 121.77 60.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.367 0.603 . . . . 0.0 111.571 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.19 155.59 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.711 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -121.59 145.41 48.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.716 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.67 107.39 2.17 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.29 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.614 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.6 t80 -92.51 -44.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.732 -176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 1.4 t70 -60.86 -47.8 94.64 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 43.4 Cg_endo -98.87 91.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.628 2.219 . . . . 0.0 111.08 165.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 54.63 3.62 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.994 2.462 . . . . 0.0 112.923 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.8 mt-10 -69.44 -36.91 77.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 58.1 0.86 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.27 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 55.8 p-90 -137.97 155.71 48.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 110.41 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.41 126.63 6.15 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.713 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 41.1 t-105 -103.87 129.47 51.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.6 t -108.26 105.39 15.08 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -50.83 -50.15 57.18 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.9 m -67.78 -21.78 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.8 m-20 -98.76 -32.63 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.542 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 69.82 18.95 7.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.565 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.7 m -100.8 140.04 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.624 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.508 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 37.9 ttp -112.48 108.88 18.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.903 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 44.3 p90 -108.84 179.94 4.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.74 139.84 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.397 0.617 . . . . 0.0 112.244 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.7 mt -137.77 41.77 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.611 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 t -63.22 -35.98 82.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.251 -170.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.31 -10.21 21.52 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.082 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.25 -2.83 26.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.463 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.0 ptp -49.52 139.86 11.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.991 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 13.6 m -69.94 125.02 91.78 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.27 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 25.4 Cg_exo -63.54 155.99 59.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.87 2.38 . . . . 0.0 111.596 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.614 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 25.1 p-80 -81.59 130.41 35.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.163 0.506 . . . . 0.0 110.783 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -92.35 2.32 56.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.133 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . 169.04 -172.88 43.47 Favored Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.92 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -88.19 113.83 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.001 2.467 . . . . 0.0 111.957 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 30.3 mt -78.49 120.41 80.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.671 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 10.8 Cg_exo -71.19 103.4 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.871 2.38 . . . . 0.0 112.509 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -81.0 106.05 12.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.03 -43.43 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.016 -0.992 . . . . 0.0 111.424 -177.1 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 8' ' ' VAL . 26.4 p . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -63.68 -15.79 59.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -62.11 -27.04 68.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.847 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.7 t -67.0 -29.39 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.397 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.7 50.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.708 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.41 -19.26 14.38 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.759 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 8' ' ' VAL . 41.4 pt -81.92 152.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.008 0.432 . . . . 0.0 110.881 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.46 177.64 7.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 -178.41 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -82.17 108.92 16.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.0 m -100.38 176.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.056 -170.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.5 m -99.99 126.15 37.65 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.82 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 20.2 Cg_exo -65.74 110.88 1.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.561 2.174 . . . . 0.0 111.78 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -70.67 -16.0 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.197 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.64 161.71 37.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.55 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' A' ' 96' ' ' GLY . 2.8 mm? -89.69 -42.82 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 109.876 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -133.77 -148.0 5.77 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 176.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 100.0 5.85 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -36.35 73.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.409 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.3 tt0 -63.33 -42.15 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 29' ' ' SER . 95.9 m -67.96 -35.08 77.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.943 0.401 . . . . 0.0 110.419 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.98 -16.12 63.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.989 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HG3' HG23 ' A' ' 27' ' ' ILE . 35.6 pttt -81.78 -22.43 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.711 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.567 HG23 ' HG3' ' A' ' 26' ' ' LYS . 10.0 pt -127.59 6.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 45.85 33.52 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.279 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.508 ' OG ' HG13 ' A' ' 27' ' ' ILE . 49.8 m -106.22 153.04 40.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.29 172.27 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.795 2.33 . . . . 0.0 113.099 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.9 p90 -151.14 155.83 39.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.737 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 102' ' ' VAL . 21.2 t -97.94 -57.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.352 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -131.84 164.39 26.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD13 ' HA2' ' A' ' 20' ' ' GLY . 77.3 mt -133.4 130.26 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.102 -174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.686 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 19.1 mtm180 -126.23 125.43 42.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.085 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tt -105.8 141.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.701 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' H ' ' A' ' 39' ' ' THR . 63.7 m -65.41 142.38 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.664 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -87.55 6.63 33.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.566 0.698 . . . . 0.0 109.234 168.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.48 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -103.85 -72.28 0.71 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.218 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 p -92.84 -4.15 53.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.889 -173.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 68.94 15.43 69.28 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.846 -0.693 . . . . 0.0 113.938 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.61 136.82 32.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.248 -0.56 . . . . 0.0 109.945 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 t -93.82 139.08 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.433 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.98 142.96 14.52 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.975 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.0 p -72.65 139.99 47.68 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.686 ' SG ' ' HG3' ' A' ' 35' ' ' ARG . 77.1 m -62.43 171.84 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.677 0.751 . . . . 0.0 112.596 -173.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.2 p-10 -75.93 -4.64 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.723 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.564 ' OD1' ' HB2' ' A' ' 46' ' ' CYS . 3.1 p-10 -88.45 -8.85 54.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.562 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 26.6 m -97.33 155.7 37.06 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.788 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 49' ' ' SER . 11.3 Cg_endo -54.76 -30.3 66.49 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.507 2.805 . . . . 0.0 114.318 -173.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -88.35 -32.99 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 52.3 mtmt 53.03 36.08 21.18 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.2 0.524 . . . . 0.0 110.586 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -66.07 -27.66 68.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.561 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.9 92.58 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.2 p -75.43 -44.59 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.95 0.405 . . . . 0.0 110.395 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -58.06 -43.09 86.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.332 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -57.86 -43.93 86.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.977 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -57.81 -48.65 79.11 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.183 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.91 -26.5 66.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.727 0.299 . . . . 0.0 111.277 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.21 6.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.72 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -84.42 -30.28 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.53 45.47 6.86 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.997 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -114.64 93.96 35.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 72.5 Cg_endo -77.58 -18.9 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.704 2.27 . . . . 0.0 113.907 -171.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 11' ' ' ILE . 45.0 mt -105.1 124.07 59.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.806 0.812 . . . . 0.0 111.872 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.449 HD12 ' NE ' ' A' ' 35' ' ' ARG . 12.2 pt -131.2 161.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 39.3 tt0 -128.02 149.39 50.39 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.05 106.23 1.59 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.901 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -41.84 14.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 110.632 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -79.96 -37.43 1.1 Allowed Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.902 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 8.3 Cg_endo -89.49 117.46 0.76 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.225 1.95 . . . . 0.0 111.821 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 8.0 Cg_exo -73.29 28.15 0.3 Allowed 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.369 2.713 . . . . 0.0 113.509 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 18.2 mm-40 -79.85 -28.63 40.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.45 70.91 1.14 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.418 ' HD1' ' HB2' ' A' ' 73' ' ' GLU . 62.6 p-90 -132.37 152.29 51.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.23 136.8 12.54 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.963 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -116.28 135.28 54.03 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 8.6 t -115.93 104.48 11.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -45.96 -52.58 11.44 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.771 0.669 . . . . 0.0 112.759 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 81' ' ' ASP . 30.3 m -70.52 -20.28 22.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 1.4 m-20 -97.95 -34.47 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 64.75 26.72 13.06 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.843 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.21 137.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.98 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.9 ttp -106.96 127.66 53.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.014 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 27.3 p90 -125.38 162.85 23.87 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.67 141.54 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.012 0.434 . . . . 0.0 110.236 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.1 mt -130.19 10.19 5.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.981 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 91' ' ' MET . 22.9 t -57.14 -23.68 49.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.63 -22.25 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.376 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.4 mtt85 -139.49 18.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.071 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.535 ' HB3' ' HA ' ' A' ' 88' ' ' SER . 24.5 ptm -64.42 147.68 52.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -166.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -100.25 101.51 14.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.741 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.41 158.66 29.28 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.395 2.063 . . . . 0.0 112.562 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -74.58 110.66 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.511 . . . . 0.0 109.967 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -80.84 -22.24 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.639 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 19' ' ' LEU . . . -107.79 160.98 13.7 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.519 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -73.97 98.3 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.082 2.522 . . . . 0.0 111.518 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 34' ' ' LEU . 61.4 mt -81.19 123.85 81.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.806 -178.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.04 116.98 3.64 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 111.573 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.96 106.15 12.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.933 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -86.38 -21.7 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 32' ' ' VAL . 5.2 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.727 0.298 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.81 -31.35 38.3 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.292 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -61.37 -24.25 66.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.611 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.88 -27.46 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.994 0.426 . . . . 0.0 110.981 -177.019 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.39 -1.34 32.96 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.127 -0.358 . . . . 0.0 111.365 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.4 45.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.31 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 8' ' ' VAL . 22.9 pt -100.56 153.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 110.587 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -129.43 167.65 17.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.868 177.68 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.43 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 9.9 m -81.28 102.87 10.68 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.46 0.647 . . . . 0.0 109.749 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.68 -179.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.247 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.7 m -115.88 135.84 22.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.468 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB2' ' HB2' ' A' ' 95' ' ' ASN . 37.1 Cg_exo -60.71 120.94 8.95 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.184 . . . . 0.0 112.481 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.8 t -74.28 -26.08 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.32 15.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.41 -46.28 8.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.328 0.585 . . . . 0.0 109.623 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.05 -164.49 25.78 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.527 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 53.0 t -63.61 118.94 8.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.2 -18.43 58.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.389 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.8 tt0 -91.36 -55.94 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 176.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 68.9 m -57.74 -29.24 64.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -174.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 79.9 mt -60.43 -24.4 65.15 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.0 ptmt -70.34 -29.54 66.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.614 0.245 . . . . 0.0 111.292 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 26' ' ' LYS . 24.6 pt -113.45 -9.8 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.75 0.31 . . . . 0.0 111.357 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.25 39.31 52.48 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.232 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -88.51 145.97 36.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.586 0.231 . . . . 0.0 110.676 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.23 159.05 54.89 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.771 2.314 . . . . 0.0 112.744 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -143.44 161.08 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.041 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.46 -50.06 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.561 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -141.14 157.96 44.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 94.9 mt -127.64 137.2 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 -176.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -135.45 132.31 37.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.035 0.445 . . . . 0.0 110.414 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 HG21 ' A' ' 92' ' ' THR . 15.1 tt -96.51 131.25 43.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.797 0.808 . . . . 0.0 109.831 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.2 t -75.24 112.8 11.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.635 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.17 5.92 1.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -106.19 -37.77 6.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.648 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -134.18 4.82 3.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.859 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.55 11.9 80.29 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.918 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -84.11 130.0 34.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.89 126.99 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.694 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.69 156.98 22.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.993 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.98 149.18 32.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.682 0.277 . . . . 0.0 110.293 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.97 155.94 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.051 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 9.2 p-10 -63.07 -18.89 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.729 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -39.62 86.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.291 0.567 . . . . 0.0 110.195 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -74.71 142.2 76.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.757 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.57 -30.53 21.89 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.938 3.092 . . . . 0.0 114.085 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -64.92 -42.42 94.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.357 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 61.6 mttm 51.45 37.05 18.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.2 -16.94 63.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.58 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.94 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.658 0.266 . . . . 0.0 110.837 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -69.12 -39.48 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.57 -43.6 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.618 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -59.72 -37.38 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.749 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -71.41 -30.98 66.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.51 -46.48 39.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.313 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.3 p -101.54 -21.53 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.7 44.7 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.723 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -117.89 98.46 51.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.52 -4.54 12.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.2 2.6 . . . . 0.0 115.034 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 11' ' ' ILE . 42.3 mt -126.79 129.72 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.616 0.722 . . . . 0.0 111.991 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.515 HD13 ' OH ' ' A' ' 79' ' ' TYR . 22.9 pt -127.85 173.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.613 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' HH11 ' A' ' 38' ' ' ARG . 35.2 tt0 -134.08 143.26 47.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.289 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.88 105.83 1.3 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -93.43 -38.71 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.568 0.223 . . . . 0.0 111.164 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.6 p-10 -72.06 -37.4 4.88 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 96.7 Cg_endo -87.41 130.41 2.83 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.207 1.271 . . . . 0.0 112.133 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.99 42.84 0.54 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.26 2.64 . . . . 0.0 112.664 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.21 -59.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.38 77.93 1.38 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.054 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -143.18 155.44 44.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 110.677 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.81 146.65 18.82 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.269 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -120.12 130.28 54.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.8 t -109.01 114.84 28.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.515 ' OH ' HD13 ' A' ' 66' ' ' ILE . 88.5 m-85 -54.64 -64.46 0.82 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.19 -21.79 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -86.29 -36.4 19.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.436 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.77 22.63 10.27 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.536 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.4 m -109.04 139.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.602 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.6 ttm -107.16 132.97 52.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.023 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -132.09 153.86 50.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.92 136.09 37.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.35 . . . . 0.0 110.702 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.19 16.53 6.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.639 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -61.33 -25.69 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.57 -171.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.17 -22.52 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.295 0.569 . . . . 0.0 110.988 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -139.25 32.81 2.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.578 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 111.867 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 36' ' ' ILE . 4.0 m -91.45 120.93 68.13 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.083 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 17.0 Cg_exo -67.17 162.73 37.1 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.668 2.245 . . . . 0.0 111.815 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -76.63 148.8 36.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.56 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 65.4 t30 -92.88 9.67 34.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.572 . . . . 0.0 110.503 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.76 -175.42 23.02 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.796 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.95 117.65 4.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.857 2.371 . . . . 0.0 111.895 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.87 129.87 34.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.2 107.54 1.38 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.59 2.193 . . . . 0.0 112.347 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -89.97 135.67 33.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.969 177.159 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -107.57 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.55 -177.714 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.4 p . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -55.36 -25.46 35.24 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.537 ' HB3' HD11 ' A' ' 65' ' ' ILE . 36.1 m80 -60.25 -25.77 65.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.34 -27.58 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.406 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.26 0.21 22.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.2 0.18 29.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.691 HG12 ' O ' ' A' ' 8' ' ' VAL . 17.1 pt -97.1 152.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.792 0.296 . . . . 0.0 110.572 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -129.77 167.77 17.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.955 0.407 . . . . 0.0 110.985 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 33.1 m -70.21 115.93 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.772 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.74 165.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.7 m -103.39 123.33 41.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.647 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.518 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 9.0 Cg_exo -70.7 100.99 0.98 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.824 2.349 . . . . 0.0 111.575 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -71.8 -15.1 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.125 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.51 165.05 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.595 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.13 -58.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -94.64 -165.55 36.0 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.312 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 48.3 t -72.7 102.73 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -40.25 64.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.128 -174.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 28.2 tt0 -73.98 -36.2 64.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.824 0.345 . . . . 0.0 110.749 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -68.39 -29.7 68.45 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.26 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.2 mt -67.43 -26.3 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.669 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -76.36 -15.76 59.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.115 0.483 . . . . 0.0 110.248 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -116.48 6.57 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.21 49.48 70.78 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.487 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -123.07 149.52 57.24 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.559 0.218 . . . . 0.0 110.868 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 -160.89 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.961 2.441 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -156.51 163.8 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' HG21 ' A' ' 102' ' ' VAL . 49.5 t -91.4 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 89.1 m-70 -135.37 150.73 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.787 0.327 . . . . 0.0 110.126 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 98' ' ' ILE . 95.1 mt -112.82 142.99 44.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.273 -175.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.707 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -134.74 137.75 43.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.594 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HB ' ' HD2' ' A' ' 69' ' ' TYR . 17.3 tt -97.35 156.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -112.58 109.23 18.65 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 12.4 mmm180 -69.1 8.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -107.31 -27.83 10.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.436 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.4 p -142.24 -3.6 1.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.441 -0.504 . . . . 0.0 112.0 -173.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.94 79.1 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.624 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -94.36 134.29 37.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 44' ' ' GLY . 3.0 t -91.71 -177.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.638 ' H ' HG12 ' A' ' 43' ' ' VAL . . . 169.5 155.69 10.18 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 173.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 p -78.16 139.66 38.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.6 p -64.0 172.06 2.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.7 p-10 -76.83 -1.42 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.52 -21.01 61.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 t -87.18 141.58 32.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.927 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.93 -12.62 23.18 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.747 2.298 . . . . 0.0 112.956 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -83.87 -37.14 22.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 85.7 mttt 48.61 55.12 9.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.45 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -78.3 -18.13 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.352 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -47.79 67.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -71.71 -42.33 67.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -60.28 -35.11 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.763 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -64.37 -45.58 87.1 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.593 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -62.06 -44.74 96.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.204 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -64.01 -29.32 70.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.39 -53.81 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.4 p -90.04 -31.64 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.43 48.05 5.78 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.716 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.9 m170 -114.64 95.2 39.71 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 89.5 Cg_endo -81.16 5.16 6.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.213 2.609 . . . . 0.0 114.878 -169.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 7' ' ' HIS . 37.2 mt -126.24 130.0 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.418 0.628 . . . . 0.0 111.698 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' A' ' 77' ' ' TRP . 41.1 pt -129.26 172.16 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.961 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 44.2 tt0 -138.0 148.22 44.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.921 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.54 102.99 0.88 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.671 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' HD2' ' HB ' ' A' ' 36' ' ' ILE . 29.9 t80 -87.64 -43.49 11.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.706 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 9.8 t70 -77.06 -53.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.362 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 3.2 Cg_exo -81.69 107.03 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.975 1.783 . . . . 0.0 111.099 176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.0 Cg_exo -78.89 37.33 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.461 2.774 . . . . 0.0 112.506 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 33.9 mt-10 -84.15 -11.96 55.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.058 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 71.35 76.37 0.58 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.999 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.585 ' HE1' ' HB2' ' A' ' 71' ' ' PRO . 55.2 p-90 -142.06 148.89 39.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.39 132.91 9.8 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.445 ' HB3' HG13 ' A' ' 66' ' ' ILE . 75.8 t-105 -108.83 125.46 51.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.1 t -105.22 105.75 15.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 69.7 m-85 -51.09 -55.44 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.583 HG23 ' OD1' ' A' ' 81' ' ' ASP . 23.7 m -66.26 -19.77 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.328 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.583 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.3 m-20 -97.34 -34.78 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.864 0.364 . . . . 0.0 110.502 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 66.14 32.05 8.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.64 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.5 m -118.35 140.73 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.703 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttp -107.35 115.31 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.129 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -109.01 168.66 9.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.12 132.3 35.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.641 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.8 mt -135.66 18.67 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.594 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.588 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 24.6 t -52.83 -41.63 64.39 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.22 -14.32 55.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -127.97 14.14 6.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.434 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 ptm -74.52 163.04 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.987 0.423 . . . . 0.0 110.885 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 m -85.64 124.05 71.75 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.99 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 131.76 22.69 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 111.776 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -75.41 128.44 35.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.911 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -93.29 17.01 11.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 111.035 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.53 160.18 32.75 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.675 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.97 155.01 26.15 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.752 2.302 . . . . 0.0 112.481 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.539 HD13 HD12 ' A' ' 34' ' ' LEU . 78.8 mt -118.32 123.75 29.11 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.48 131.63 45.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.684 2.256 . . . . 0.0 111.783 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.571 HH21 HG23 ' A' ' 102' ' ' VAL . 2.7 tpt180 -85.81 104.2 15.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.954 -175.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -102.59 -9.99 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.05 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.571 HG23 HH21 ' A' ' 100' ' ' ARG . 3.9 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.788 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.9 p . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.35 -29.29 67.56 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.733 0.242 . . . . 0.0 111.585 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 36.5 m80 -60.87 -25.93 67.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.82 0.343 . . . . 0.0 111.234 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.45 -27.08 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -175.166 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.7 2.34 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.818 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.78 11.55 10.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.594 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.725 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.2 pt -100.36 151.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.92 172.74 12.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.134 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -86.29 98.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.86 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.209 -169.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.5 m -107.89 126.48 29.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.014 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.6 Cg_exo -59.55 135.29 63.54 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.847 2.365 . . . . 0.0 112.566 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 23.5 m -72.01 -31.89 66.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.96 171.84 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.682 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.27 -44.45 19.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.125 0.488 . . . . 0.0 109.951 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.55 -144.12 7.89 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.725 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 34' ' ' LEU . 60.4 m -75.18 108.93 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.77 -0.253 . . . . 0.0 111.061 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.18 -31.35 5.61 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.956 0.785 . . . . 0.0 111.496 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.08 -63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.0 m -56.02 -29.76 60.84 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 77.6 mt -64.66 -16.19 62.45 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' ILE . 11.6 ptmt -68.43 -24.8 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 110.534 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HG3' ' A' ' 26' ' ' LYS . 7.8 pt -127.73 5.26 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.354 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.21 27.61 73.66 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.853 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -88.99 157.17 48.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.697 0.284 . . . . 0.0 111.453 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 101' ' ' TYR . 16.3 Cg_exo -69.62 174.96 8.62 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.245 2.63 . . . . 0.0 113.106 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.7 p90 -150.54 160.68 43.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.259 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.59 -56.76 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -135.46 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.124 0.488 . . . . 0.0 111.296 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 21' ' ' CYS . 76.9 mt -112.75 131.94 55.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.742 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.596 ' HD3' ' HB1' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -141.65 134.33 28.54 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.474 0.654 . . . . 0.0 111.435 177.153 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 43' ' ' VAL . 7.4 tt -119.53 141.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.105 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 m -72.93 143.82 47.55 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.481 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -82.95 36.8 0.51 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.055 0.455 . . . . 0.0 109.9 171.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -140.59 -62.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.63 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 14.7 p -102.08 -13.62 17.43 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.729 0.299 . . . . 0.0 111.688 -174.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.36 -1.63 88.41 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.565 -0.826 . . . . 0.0 114.105 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.473 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 12.4 m-70 -75.97 119.45 19.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 117.537 0.668 . . . . 0.0 111.182 -177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 36' ' ' ILE . 45.0 t -87.96 122.23 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.817 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.23 160.57 19.82 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.066 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.7 p -72.76 128.78 36.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.91 160.88 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.54 -4.63 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.471 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -64.1 -36.49 84.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 109.97 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -86.7 146.03 40.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.71 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.25 -27.5 80.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.399 2.733 . . . . 0.0 113.779 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 40.6 m-70 -62.5 -42.53 99.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.185 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt 50.66 36.31 13.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.064 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.2 -18.49 48.71 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.355 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB1' ' HD3' ' A' ' 35' ' ' ARG . . . -66.36 -48.58 69.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.696 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.8 p -78.63 -39.53 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -61.19 -37.45 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.93 -38.98 72.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.709 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -63.69 -39.46 94.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.9 0.381 . . . . 0.0 110.331 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -61.12 -32.56 72.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.798 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.23 -47.67 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -174.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -96.62 -14.36 22.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.92 47.89 77.61 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.522 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -110.51 92.33 13.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 93.5 Cg_endo -80.27 -22.23 7.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.963 2.442 . . . . 0.0 113.946 -171.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.8 mt -97.87 121.81 48.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.548 0.69 . . . . 0.0 111.441 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 38.0 pt -126.82 144.67 36.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.324 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.61 144.87 35.76 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA3' ' CZ2' ' A' ' 75' ' ' TRP . . . -68.27 110.09 3.24 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.741 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -92.2 -27.42 17.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.498 0.189 . . . . 0.0 111.211 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.623 ' CG ' ' HD3' ' A' ' 71' ' ' PRO . 5.5 p-10 -84.19 -38.36 0.67 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.439 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' CG ' ' A' ' 70' ' ' ASP . 58.4 Cg_endo -104.04 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.866 2.377 . . . . 0.0 111.29 170.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 5.0 Cg_exo -75.93 78.79 3.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -111.05 -0.46 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.229 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 73.3 73.08 0.91 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.077 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.474 ' CZ2' ' HA3' ' A' ' 68' ' ' GLY . 52.3 p-90 -142.63 142.31 32.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.849 0.357 . . . . 0.0 110.254 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.37 129.19 8.2 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.365 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -106.62 137.34 44.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.2 t -118.06 111.2 18.6 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 34.4 m-85 -46.67 -66.41 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -172.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.6 m -67.22 -21.12 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -84.16 -36.94 22.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 0.0 110.187 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 67.97 23.85 8.12 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.536 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 m -112.06 150.46 14.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.496 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 57.1 ttp -119.85 120.4 36.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.705 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -115.33 168.1 10.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.73 136.45 33.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.181 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.8 mt -134.35 25.77 3.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.023 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.55 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.4 p -56.54 -39.31 73.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 -10.23 59.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 110.81 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -125.29 14.79 8.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.234 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.1 ptp -61.93 154.3 26.71 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 m -98.48 108.04 45.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.402 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.54 131.17 18.3 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.389 2.059 . . . . 0.0 111.734 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -61.81 138.71 58.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.981 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.68 -56.5 13.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.768 -174.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.05 -174.4 13.5 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.811 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.29 119.24 6.24 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.906 2.404 . . . . 0.0 111.93 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 34' ' ' LEU . 57.2 mt -97.74 123.03 53.26 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.831 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 17.0 Cg_exo -66.92 104.35 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.733 2.288 . . . . 0.0 111.833 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -88.48 117.67 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 30' ' ' PRO . 79.1 m-85 -92.54 -59.54 2.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.779 -174.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.879 -175.418 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 8' ' ' VAL . 31.5 p . . . . . 0 N--CA 1.457 -0.087 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -64.87 -24.54 67.57 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.58 -25.4 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.542 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 12.7 t -63.72 -30.48 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.202 0.525 . . . . 0.0 109.99 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.02 -17.49 59.65 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.38 37.35 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.225 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 65' ' ' ILE . 47.8 pt -91.21 153.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.474 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 172.03 12.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.487 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.648 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 39.3 m -73.84 96.66 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.653 0.739 . . . . 0.0 111.088 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.2 m -84.83 161.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.205 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.4 m -96.11 128.57 36.59 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.943 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.64 107.8 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.725 2.284 . . . . 0.0 112.027 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -83.47 11.78 6.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.445 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -163.19 149.95 12.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.396 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' HA3' ' A' ' 96' ' ' GLY . 10.8 mp -80.68 -48.05 13.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.252 0.548 . . . . 0.0 109.925 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.58 -147.02 7.03 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 72.4 m -75.68 104.06 6.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.004 0.402 . . . . 0.0 110.043 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.24 -38.03 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 0.0 110.38 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.1 tp10 -60.39 -60.71 3.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.734 178.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.633 ' HB3' ' O ' ' A' ' 29' ' ' SER . 73.2 m -52.55 -40.24 62.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.773 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.11 -15.78 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.8 ptmt -83.51 -18.8 37.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.258 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.4 pt -118.49 -5.41 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.757 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.13 42.23 24.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.32 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.633 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 66.1 m -118.69 156.36 51.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.474 0.178 . . . . 0.0 110.996 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.3 179.58 5.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.703 2.268 . . . . 0.0 112.824 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -146.87 164.97 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.315 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 33' ' ' HIS . 48.4 t -90.44 -66.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.283 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 32' ' ' VAL . 88.2 m-70 -131.91 153.87 49.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.47 . . . . 0.0 111.16 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 98' ' ' ILE . 97.5 mt -101.51 131.01 47.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.48 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 35' ' ' ARG . 7.7 mmm180 -120.83 109.43 15.13 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 67' ' ' GLU . 14.0 tt -95.97 121.94 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 122.175 0.988 . . . . 0.0 109.869 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.98 116.29 14.43 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.708 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.648 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 8.7 mmm180 -72.42 1.98 7.01 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -173.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -98.88 -61.1 1.41 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.846 0.355 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 p -102.75 1.86 34.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 73.29 14.43 79.22 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.154 -0.546 . . . . 0.0 114.404 173.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -94.18 133.82 37.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.867 0.833 . . . . 0.0 110.681 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 21.5 t -90.86 132.37 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.98 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 171.55 22.45 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.925 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.515 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 6.7 p -83.12 137.12 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.804 0.335 . . . . 0.0 110.814 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.53 172.68 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.897 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.0 p-10 -75.81 -8.56 57.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.04 -42.56 85.65 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.866 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.9 m -83.1 134.78 45.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.72 -15.98 23.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.219 2.613 . . . . 0.0 113.501 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.68 -39.2 93.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.222 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 47.8 mtmt 46.87 51.4 12.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.519 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -76.0 -20.57 57.74 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.018 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.42 -44.67 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -74.24 -43.6 56.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -59.87 -29.24 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -65.56 -41.89 92.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -62.93 -38.21 90.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.478 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -67.43 -26.47 66.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.279 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.75 -50.1 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.3 p -94.73 -26.51 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.36 39.78 21.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.98 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -107.65 102.51 45.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 77.5 Cg_endo -83.99 0.82 9.12 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.957 2.438 . . . . 0.0 115.666 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 11' ' ' ILE . 36.5 mt -126.69 126.98 69.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 118.885 0.766 . . . . 0.0 112.421 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 HD12 ' HE ' ' A' ' 35' ' ' ARG . 38.5 pt -129.74 138.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.163 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 36' ' ' ILE . 33.8 tt0 -103.86 148.48 26.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 108.56 2.54 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 14.3 t80 -93.03 -27.79 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -172.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 6.9 p-10 -78.48 -37.26 1.36 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.819 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 9.8 Cg_endo -89.9 118.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 121.842 1.695 . . . . 0.0 111.227 173.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.7 Cg_exo -71.21 35.8 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.219 2.613 . . . . 0.0 112.947 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 33.3 mt-10 -86.62 -38.66 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.299 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 84.8 0.76 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.18 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 51.3 p-90 -150.82 140.1 21.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 110.68 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.35 135.61 12.79 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.432 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.4 ' HE3' ' HB2' ' A' ' 84' ' ' MET . 56.6 t-105 -102.67 135.93 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 3.4 t -113.51 113.51 25.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 63.0 m-85 -53.49 -67.13 0.28 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.8 m -61.88 -19.99 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -89.57 -36.67 15.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.88 0.371 . . . . 0.0 110.164 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.67 24.88 8.31 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.749 -176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 81' ' ' ASP . 35.9 m -117.95 141.37 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.531 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 77' ' ' TRP . 54.3 ttp -100.03 138.03 37.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.098 174.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 51.1 p90 -131.81 145.29 51.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.47 137.38 55.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -140.46 23.78 2.31 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.636 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 t -61.75 -33.78 74.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.734 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.31 -19.16 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.16 16.63 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.685 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.15 165.31 18.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.129 0.49 . . . . 0.0 111.557 -172.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 HD13 ' A' ' 36' ' ' ILE . 40.6 p -84.14 134.24 43.86 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.035 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.8 116.13 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.357 2.038 . . . . 0.0 111.924 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 1.2 p-80 -61.46 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 110.232 177.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -87.95 2.08 52.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.949 -166.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.517 ' HA3' ' HG ' ' A' ' 19' ' ' LEU . . . -157.18 175.04 34.72 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.932 -1.127 . . . . 0.0 112.817 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.19 127.17 10.34 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.965 2.444 . . . . 0.0 111.898 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 34' ' ' LEU . 63.5 mt -117.36 112.91 39.14 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.615 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 12.5 Cg_exo -70.08 123.9 10.44 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.936 2.424 . . . . 0.0 112.837 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.589 ' HD2' ' OXT' ' A' ' 102' ' ' VAL . 6.9 tpp180 -70.66 104.56 2.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.332 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.41 -36.14 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.589 ' OXT' ' HD2' ' A' ' 100' ' ' ARG . 6.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 6' ' ' ARG . 11.7 ptt180 -60.37 -25.49 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -65.96 -26.71 67.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.604 0.24 . . . . 0.0 111.45 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 17.3 t -65.15 -29.24 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.482 0.658 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -13.04 62.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.17 -13.5 33.37 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.246 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.518 HD13 HG21 ' A' ' 65' ' ' ILE . 44.1 pt -86.28 152.11 3.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 117.23 0.515 . . . . 0.0 110.581 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -123.87 176.9 6.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.094 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -76.77 101.48 5.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 18.1 m -99.49 144.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.173 0.511 . . . . 0.0 111.84 -170.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -85.6 128.1 60.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.271 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.13 132.11 35.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.64 2.227 . . . . 0.0 112.417 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.3 m -60.23 -47.36 86.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.2 178.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.987 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.69 -59.21 5.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.271 0.557 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.71 -149.05 15.98 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.457 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 48.6 t -75.17 117.81 17.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -38.15 -70.36 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.473 1.108 . . . . 0.0 113.359 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.654 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 34.4 tt0 -68.8 -31.17 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 87.9 m -62.59 -32.71 73.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.061 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.703 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 32.6 pttt -67.35 -23.62 65.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.18 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 26' ' ' LYS . 22.6 pt -128.96 4.26 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.08 45.71 93.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.707 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t -79.53 113.85 40.55 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 31.0 Cg_exo -61.96 121.25 9.23 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.092 2.528 . . . . 0.0 112.755 -176.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -109.85 157.42 19.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.433 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.84 -58.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -136.06 150.99 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.579 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 95.7 mt -109.49 132.12 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.19 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' CD ' HD12 ' A' ' 66' ' ' ILE . 85.1 mtt180 -129.65 126.19 37.81 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.301 0.572 . . . . 0.0 109.948 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.452 HD13 HG21 ' A' ' 92' ' ' THR . 13.0 tt -96.32 124.83 49.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.913 0.863 . . . . 0.0 110.333 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.15 107.02 2.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.581 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 14' ' ' VAL . 10.2 mmm180 -70.99 6.39 1.58 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.6 -28.48 12.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.774 0.321 . . . . 0.0 111.511 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 19.6 p -142.84 -0.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.808 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 80.26 13.96 81.07 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.569 175.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.511 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 1.7 t60 -83.56 116.78 22.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.379 0.59 . . . . 0.0 109.913 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -86.83 124.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' HA2' ' SG ' ' A' ' 21' ' ' CYS . . . -141.85 154.25 24.72 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.252 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -73.43 140.98 46.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 48' ' ' ASP . 18.1 p -71.7 -179.65 2.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.742 0.306 . . . . 0.0 111.099 -177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 12.1 p-10 -75.73 -7.63 54.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.824 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 6.5 m-20 -64.49 -26.54 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -95.27 139.18 21.91 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.65 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.05 -29.72 66.59 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.334 2.69 . . . . 0.0 113.626 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -72.96 -25.19 60.92 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.809 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 54.1 mtmt 40.56 63.04 1.21 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.801 0.841 . . . . 0.0 113.102 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 5.8 m170 -76.98 -40.2 47.69 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.92 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p -75.04 -48.28 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.624 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.75 -27.91 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.418 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -68.13 -44.83 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -60.1 -42.82 95.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 0.0 110.212 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -61.26 -27.08 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.228 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.72 -48.94 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 p -93.35 -20.64 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.12 40.0 57.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.76 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -107.49 100.4 33.89 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 87.1 Cg_endo -85.8 6.7 5.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.024 2.483 . . . . 0.0 115.405 -166.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.518 HG21 HD13 ' A' ' 11' ' ' ILE . 24.7 mt -128.15 128.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.472 0.653 . . . . 0.0 112.259 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' CD ' ' A' ' 35' ' ' ARG . 30.8 pt -132.99 150.48 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.194 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.7 tt0 -116.36 144.58 44.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.462 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.57 107.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.257 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -93.08 -44.33 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.659 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.01 -36.65 11.53 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.09 -177.137 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 13.8 Cg_endo -93.26 123.79 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.19 1.927 . . . . 0.0 111.643 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 9.0 Cg_exo -72.74 44.3 0.75 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.238 2.626 . . . . 0.0 112.709 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.57 -52.47 5.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.966 0.412 . . . . 0.0 110.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.34 74.65 1.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.132 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -145.75 148.96 33.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.766 0.317 . . . . 0.0 110.689 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.03 139.67 14.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.103 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.411 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 65.4 t-105 -111.98 135.03 53.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.8 t -112.01 110.95 21.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 56.2 m-85 -51.07 -59.8 3.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -173.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.427 HG23 ' OD1' ' A' ' 81' ' ' ASP . 18.4 m -68.72 -20.49 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -89.22 -37.13 15.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 0.0 110.134 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.87 32.67 10.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.287 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -120.94 148.29 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.17 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.411 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 47.4 ttm -110.59 129.13 55.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.711 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 37.1 p90 -119.98 169.63 10.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.691 0.281 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.63 135.43 33.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.436 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -135.98 27.03 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 p -59.21 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.78 -1.5 52.75 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -132.02 18.91 4.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.845 0.355 . . . . 0.0 110.395 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.596 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.7 ptm -72.83 148.81 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.638 -173.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.3 m -70.61 118.57 65.98 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.305 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.7 Cg_exo -66.44 138.42 50.37 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.738 2.292 . . . . 0.0 112.524 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -61.99 135.77 57.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.225 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.58 13.92 33.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.462 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.11 30.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.48 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.68 123.88 9.35 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.211 2.608 . . . . 0.0 112.101 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.08 129.07 36.59 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.565 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.85 112.19 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.609 2.206 . . . . 0.0 111.482 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HD3' ' OXT' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -102.23 127.32 49.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -97.33 -47.61 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.383 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.435 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 9.7 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.571 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.0 p . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -58.27 -23.11 55.15 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -61.72 -24.72 66.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -60.62 -28.07 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -178.228 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.84 -3.43 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.57 -5.47 48.41 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.438 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 8' ' ' VAL . 42.2 pt -101.74 153.77 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.528 . . . . 0.0 110.953 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 163.48 23.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.848 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -71.13 99.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.91 160.51 2.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.934 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -101.73 124.15 41.55 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.153 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.62 120.26 7.94 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.957 2.438 . . . . 0.0 112.495 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 t -87.66 -14.38 40.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.99 46.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.219 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.97 -58.01 2.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.97 -151.01 24.78 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.452 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.0 t -77.06 108.82 10.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.68 -0.306 . . . . 0.0 110.217 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.9 -37.49 19.89 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.894 0.746 . . . . 0.0 111.475 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.4 tp10 -74.65 -49.26 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' SER . 97.7 m -65.53 -30.57 71.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.726 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 88.4 mt -66.16 -19.35 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.1 ptmt -73.78 -21.11 60.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 0.0 110.989 -177.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -127.2 -3.26 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.602 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.45 34.23 36.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.992 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 34.4 t -85.7 145.0 40.66 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 6.7 Cg_exo -74.37 172.83 15.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.573 2.182 . . . . 0.0 112.042 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -150.09 158.17 43.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.72 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG12 ' CD2' ' A' ' 33' ' ' HIS . 22.8 t -91.07 -64.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 110.328 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 95.7 m-70 -131.23 159.0 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.4 mt -111.81 142.73 43.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD2' HD12 ' A' ' 66' ' ' ILE . 23.2 mmt180 -122.38 119.4 30.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.728 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 67' ' ' GLU . 12.4 tt -97.09 121.31 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.893 0.854 . . . . 0.0 109.732 175.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.66 115.68 18.51 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.214 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.649 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 8.9 mmm180 -73.66 7.17 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -173.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -106.23 -23.73 12.5 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.689 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.85 -6.54 0.86 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.115 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.09 82.07 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.92 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 138.08 31.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.592 0.696 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.4 t -108.02 137.57 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.652 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.66 169.7 25.93 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.6 p -73.25 147.86 44.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 25.0 p -68.99 -173.26 0.47 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 111.119 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.541 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.7 p-10 -82.3 2.83 30.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.141 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -79.17 -35.41 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.242 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -82.29 145.99 53.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.252 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.65 -36.54 32.62 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.745 2.963 . . . . 0.0 113.778 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -66.27 -42.93 87.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 91.0 mttt 51.68 40.13 26.72 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.203 -177.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -64.41 -23.3 67.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.666 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' HIS . . . -73.59 -42.11 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -74.17 -40.59 62.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.918 0.39 . . . . 0.0 110.528 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 52.5 mtp180 -66.06 -25.41 67.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' ALA . 69.2 t60 -61.78 -41.67 98.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.614 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.98 -36.58 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.291 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.48 -27.34 66.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.707 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.77 -58.29 2.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.93 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -84.04 -27.92 28.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.54 39.57 14.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.853 -175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -110.52 102.31 51.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 79.3 Cg_endo -86.33 2.52 7.28 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.089 2.526 . . . . 0.0 115.586 -167.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG21 HD13 ' A' ' 11' ' ' ILE . 57.7 mt -128.17 130.52 69.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.338 0.59 . . . . 0.0 112.33 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' HD2' ' A' ' 35' ' ' ARG . 34.5 pt -136.17 154.61 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.656 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.649 ' OE1' ' HD3' ' A' ' 38' ' ' ARG . 31.1 mt-10 -107.89 166.71 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.172 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.26 101.04 2.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 20.8 t80 -81.73 -22.2 37.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.057 0.456 . . . . 0.0 110.138 -177.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 3.6 t70 -76.63 -54.28 1.79 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.787 175.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 98.5 Cg_endo -95.42 101.81 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.118 1.879 . . . . 0.0 112.078 172.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 7.3 Cg_exo -74.22 50.24 2.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.491 2.794 . . . . 0.0 112.414 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.43 -23.78 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.4 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.82 76.26 1.31 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.481 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -151.96 145.19 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.71 133.8 10.92 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.228 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -107.77 131.71 54.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.2 t -112.31 114.18 26.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 66.8 m-85 -53.11 -59.03 5.05 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -172.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' OD1' ' A' ' 81' ' ' ASP . 13.4 m -69.05 -27.89 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -80.5 -38.4 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.993 0.425 . . . . 0.0 110.302 -179.232 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 63.46 31.66 14.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.758 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 81' ' ' ASP . 22.5 m -114.88 152.38 16.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.719 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 48.1 ttm -116.55 113.12 22.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -105.75 151.15 24.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.714 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.88 122.69 24.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.628 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -118.5 23.05 11.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.415 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -62.85 -29.55 70.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.45 -20.58 61.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.406 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -133.24 23.97 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.002 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.8 ptp -62.91 147.9 48.96 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 m -99.33 106.26 38.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.889 173.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 7.1 Cg_exo -74.1 162.17 39.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.013 2.475 . . . . 0.0 112.472 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 51.2 p-80 -64.71 124.83 22.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -81.04 -13.59 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.244 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.79 -173.97 33.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.039 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.62 121.36 8.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.189 2.593 . . . . 0.0 112.48 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.1 mt -109.42 124.52 33.65 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.77 111.84 2.5 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.388 2.059 . . . . 0.0 111.974 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -85.74 121.5 28.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.806 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.53 -43.5 6.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.427 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.304 -178.037 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 8' ' ' VAL . 21.5 p . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -54.48 -22.01 11.59 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.97 -24.08 62.29 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.625 177.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 HD11 ' A' ' 11' ' ' ILE . 11.4 p -59.38 -27.53 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 111.015 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -10.95 60.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.454 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 -30.71 7.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.932 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 8' ' ' VAL . 14.0 pt -83.27 147.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.724 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -134.58 -179.32 5.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.321 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 107.37 7.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 160.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.718 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 m -96.47 125.69 46.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.211 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.53 113.57 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 111.531 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 2.3 p -76.0 -9.9 58.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.629 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.13 152.53 28.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.988 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.34 -46.42 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.288 0.565 . . . . 0.0 109.66 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.33 -165.14 21.11 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.658 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.07 98.55 5.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.6 tp10 -66.49 90.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.0 tp10 167.01 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 41.1 m -67.28 -29.36 68.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.29 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.56 -17.62 64.12 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.605 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG3' HG23 ' A' ' 27' ' ' ILE . 13.9 ptpt -74.64 -26.6 59.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.466 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.596 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.8 pt -110.93 -20.27 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.09 29.3 8.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.061 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.7 t -87.28 143.19 34.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 5.4 Cg_exo -79.14 -166.84 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.093 2.529 . . . . 0.0 112.234 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.44 ' CZ2' ' HG2' ' A' ' 99' ' ' PRO . 12.4 p90 -161.69 170.17 20.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.976 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.5 -66.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' HD2' ' OD1' ' A' ' 70' ' ' ASP . 32.3 m80 -131.49 144.55 51.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.877 0.37 . . . . 0.0 110.223 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.557 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.8 mt -102.33 134.31 45.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.795 174.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.7 mtt180 -126.96 136.11 51.81 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 92' ' ' THR . 14.6 tt -97.05 131.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.697 0.761 . . . . 0.0 110.282 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HA ' HG22 ' A' ' 66' ' ' ILE . 42.8 t -76.76 112.54 13.46 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.031 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.6 mmm180 -72.11 2.72 5.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 -58.66 1.97 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.899 0.381 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.23 -15.87 15.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.328 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.01 23.45 45.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.823 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 17.0 t60 -94.59 137.81 33.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.759 0.779 . . . . 0.0 110.089 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -105.35 143.28 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.4 169.13 39.75 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.192 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 12.1 p -73.01 133.47 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.024 0.44 . . . . 0.0 109.909 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 p -87.28 -169.07 2.46 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.447 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 28.0 t70 -58.5 -22.48 55.22 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.945 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.14 -34.98 59.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 m -104.43 148.07 35.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.285 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.2 -16.28 51.33 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.908 2.406 . . . . 0.0 113.312 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.4 t60 -76.84 -29.47 55.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 49' ' ' SER . 8.7 mtmt 49.15 44.17 22.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.38 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -68.17 -28.57 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 46' ' ' CYS . . . -75.97 -38.86 57.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 47' ' ' ASP . 60.1 p -77.69 -42.16 35.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.991 -176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.1 -27.69 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.88 -47.08 84.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 19.3 t80 -61.46 -40.02 93.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.631 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -60.95 -26.89 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.824 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.81 -51.88 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.008 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -81.05 -27.18 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.79 35.45 50.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.517 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -103.45 97.12 9.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.3 Cg_endo -80.24 -15.21 11.57 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.684 2.256 . . . . 0.0 114.839 -168.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' HB ' HG21 ' A' ' 11' ' ' ILE . 64.2 mt -110.12 126.27 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.634 0.731 . . . . 0.0 112.404 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.552 HD12 ' HD2' ' A' ' 35' ' ' ARG . 37.4 pt -130.94 160.57 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.442 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 40.1 tt0 -127.83 146.5 50.59 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.179 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.88 109.93 3.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.843 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.8 t80 -95.78 -40.81 9.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.667 0.27 . . . . 0.0 110.413 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.605 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 6.7 t70 -68.34 -47.55 37.3 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.57 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.1 Cg_endo -99.75 89.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.649 2.233 . . . . 0.0 111.29 167.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 2.8 Cg_exo -75.49 89.79 1.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.757 2.305 . . . . 0.0 112.037 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.9 mt-10 -113.08 -11.81 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.582 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 79.46 65.49 1.78 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 45.9 p-90 -142.17 149.33 39.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 110.805 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.57 118.03 4.14 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.746 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 74.1 t-105 -94.19 127.77 40.23 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.3 t -109.3 103.18 12.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -45.87 -56.62 5.18 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.3 m -67.39 -20.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.595 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -95.63 -35.19 11.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 0.0 110.174 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 63.52 29.44 15.33 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.358 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 81' ' ' ASP . 21.9 m -115.51 146.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.017 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.9 ttm -113.07 108.5 17.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -99.73 165.52 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.394 0.616 . . . . 0.0 111.325 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -132.94 23.94 4.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.665 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 10.4 t -57.86 -37.67 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.921 -172.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -86.68 0.04 55.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.563 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.7 15.71 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.73 0.3 . . . . 0.0 110.24 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.2 ptm -69.87 153.46 43.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.692 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.458 HG21 HD13 ' A' ' 36' ' ' ILE . 3.0 m -84.91 116.33 64.9 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.445 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.37 157.72 41.1 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.384 2.056 . . . . 0.0 112.037 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.562 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 28.4 p-80 -91.21 129.0 37.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -93.03 -10.39 36.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.4 175.47 28.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.099 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.39 116.63 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.674 2.916 . . . . 0.0 112.143 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -95.3 129.13 36.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.648 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 31' ' ' TRP . 24.7 Cg_endo -63.69 109.58 1.09 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.624 2.216 . . . . 0.0 112.126 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -85.48 114.31 22.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.688 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -102.61 -8.86 20.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.321 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.23 0.067 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.5 -17.51 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 111.23 -177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.5 -26.41 68.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 14.7 t -68.0 -30.14 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 121.391 0.615 . . . . 0.0 109.809 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.79 60.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.588 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.4 -28.32 13.25 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.701 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.556 HD13 HG21 ' A' ' 65' ' ' ILE . 41.4 pt -76.15 151.31 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.214 0.53 . . . . 0.0 111.096 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.98 -170.42 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.634 -177.452 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -77.59 125.23 29.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 m -121.29 151.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.979 0.419 . . . . 0.0 111.668 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.6 m -93.21 126.78 49.51 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.512 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.9 130.91 38.92 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.057 2.504 . . . . 0.0 112.485 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -68.2 -37.94 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.8 173.03 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.85 -50.61 68.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.172 0.511 . . . . 0.0 109.935 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -122.93 -163.56 11.84 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.144 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 42.8 t -67.65 112.2 4.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 5.8 mp0 -62.01 -29.49 70.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.103 0.478 . . . . 0.0 110.096 -176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 12.8 tp10 -56.09 -53.26 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.93 176.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 29' ' ' SER . 70.2 m -66.6 -36.31 82.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.559 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 93.8 mt -67.15 -15.71 63.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.939 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -67.84 -25.58 65.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 110.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 29' ' ' SER . 17.2 pt -124.18 -11.62 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.4 26.71 24.77 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.826 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 15.9 t -84.54 150.75 57.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.441 0.296 . . . . 0.0 110.523 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -73.66 -172.47 1.08 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.034 2.489 . . . . 0.0 112.497 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.716 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 20.1 p90 -157.16 179.88 8.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.546 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 102' ' ' VAL . 55.9 t -106.26 -74.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -138.85 129.87 26.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.438 0.637 . . . . 0.0 111.027 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 50.9 mt -85.94 138.06 32.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.065 -176.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -112.7 130.68 55.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.972 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' HB ' ' HB2' ' A' ' 69' ' ' TYR . 18.4 tt -97.45 127.23 49.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.844 0.83 . . . . 0.0 110.563 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.2 t -74.79 113.48 12.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.597 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -72.33 -0.27 11.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -96.86 -29.89 13.46 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.75 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.0 2.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.041 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.84 78.56 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.619 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.82 137.95 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.73 129.91 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.349 0.595 . . . . 0.0 110.859 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.33 125.14 3.1 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.92 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.716 ' SG ' ' HB2' ' A' ' 31' ' ' TRP . 6.0 t -72.14 142.31 49.12 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.3 t -60.9 164.82 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 111.779 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.2 p-10 -63.89 -13.81 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.358 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.11 -32.06 73.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 m -85.92 143.6 37.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.547 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -32.9 59.45 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.131 2.554 . . . . 0.0 113.158 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -65.03 -35.48 81.31 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.291 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 50.2 mtmt 47.89 53.8 10.92 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.571 0.544 . . . . 0.0 111.727 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -78.88 -24.9 43.93 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.048 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.15 77.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.803 0.335 . . . . 0.0 110.499 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 8.8 p -71.74 -48.55 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.518 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -60.51 -37.37 80.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -65.74 -41.57 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.393 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 14.3 t80 -59.35 -44.58 92.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.36 -31.99 71.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.3 -58.45 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.974 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.2 p -84.19 -23.01 30.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.13 44.78 12.76 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.258 -174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -115.98 99.99 53.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 98.8 Cg_endo -79.11 -18.43 11.29 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.865 2.377 . . . . 0.0 114.937 -167.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.556 HG21 HD13 ' A' ' 11' ' ' ILE . 46.4 mt -106.5 125.11 62.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.571 0.7 . . . . 0.0 112.609 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.19 159.61 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.829 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.08 168.67 17.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.6 101.32 2.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.147 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.672 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 25.1 t80 -91.89 -62.18 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.278 . . . . 0.0 111.457 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 4.4 t70 -64.9 -51.95 53.27 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 5.1 Cg_endo -88.51 108.02 0.52 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.151 1.9 . . . . 0.0 110.715 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.6 84.57 0.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.285 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.61 -37.43 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.91 75.92 1.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.609 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.41 ' HZ3' ' HB2' ' A' ' 77' ' ' TRP . 62.9 p-90 -157.3 146.51 20.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.811 0.338 . . . . 0.0 110.174 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.25 134.24 11.63 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.637 -176.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 75' ' ' TRP . 70.2 t-105 -113.51 128.89 56.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 6.9 t -110.83 107.6 17.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -52.48 -54.47 32.02 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG13 ' HZ ' ' A' ' 58' ' ' PHE . 11.5 m -62.86 -25.41 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.5 m-20 -93.06 -36.2 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.004 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 66.58 25.79 9.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.454 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -103.97 150.71 7.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.893 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -121.77 124.55 44.47 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 29.8 p90 -128.27 148.93 50.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.432 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -75.12 132.19 41.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -126.81 23.93 6.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.474 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -60.59 -25.97 66.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.261 0.553 . . . . 0.0 110.993 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 90' ' ' ARG . 9.7 p-10 -81.2 -20.91 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.551 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 89' ' ' ASP . 80.7 mtt180 -124.92 17.15 8.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.4 ptm -67.83 152.86 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.008 0.432 . . . . 0.0 111.841 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.8 m -108.42 105.12 56.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.784 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.96 149.92 85.91 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.937 2.424 . . . . 0.0 112.058 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.672 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 43.4 p-80 -61.05 133.48 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.001 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -71.17 -36.23 71.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.965 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.61 -160.77 8.79 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.812 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.11 112.33 2.71 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.234 2.623 . . . . 0.0 112.642 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -108.84 111.29 60.9 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.03 109.12 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.736 2.291 . . . . 0.0 111.754 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -74.89 109.13 8.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.83 -33.54 34.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.779 0.323 . . . . 0.0 110.509 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.57 HG21 HG13 ' A' ' 32' ' ' VAL . 3.4 m . . . . . 0 C--O 1.246 0.871 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.745 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 26.4 p . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -65.44 -22.32 66.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.548 0.213 . . . . 0.0 111.349 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.9 m80 -60.79 -25.9 66.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.607 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 16.4 t -64.6 -29.18 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.336 0.589 . . . . 0.0 110.278 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.14 -2.21 29.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.243 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.97 2.02 17.15 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.799 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 38' ' ' ARG . 42.2 pt -101.07 153.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -132.57 168.0 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.208 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 121.2 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -107.24 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.238 0.542 . . . . 0.0 111.892 -174.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.8 m -126.77 126.04 24.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.328 176.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 25.9 Cg_exo -63.04 130.11 27.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.396 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -76.08 -12.32 60.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.45 -173.28 3.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 96' ' ' GLY . 81.1 mt -95.89 -43.86 7.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.66 -124.87 2.5 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.637 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 63.5 m -80.79 98.47 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.02 -59.87 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.083 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' CD ' ' HE2' ' A' ' 53' ' ' HIS . 15.9 tt0 -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.554 0.216 . . . . 0.0 111.22 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 79.3 m -51.46 -29.59 16.78 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.9 mt -55.55 -30.43 60.77 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG3' HG23 ' A' ' 27' ' ' ILE . 19.9 ptmt -63.38 -28.74 70.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.541 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.55 4.12 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 111.469 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.79 40.19 95.52 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.087 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 30.0 t -80.48 123.45 82.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.17 172.32 16.48 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.923 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -152.06 159.54 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.612 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 33' ' ' HIS . 57.4 t -79.32 -61.39 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 92.3 m-70 -144.27 -175.57 4.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.747 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' CYS . 94.6 mt -131.24 142.82 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.592 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.79 147.33 46.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.079 174.138 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG22 ' HB2' ' A' ' 69' ' ' TYR . 12.2 tt -129.42 140.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.569 -173.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -67.59 142.27 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.175 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.55 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 13.3 mmm180 -81.9 38.86 0.54 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 -66.81 0.4 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.518 -172.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.0 p -99.13 -5.45 30.12 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 13.74 67.38 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.856 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -91.91 128.67 37.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.278 -0.542 . . . . 0.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.28 130.45 36.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.637 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.72 149.62 17.65 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.799 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.79 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.3 p -79.9 153.02 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.639 0.22 . . . . 0.0 110.437 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 85.3 m -58.97 146.21 38.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.092 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 17.9 m-20 -79.08 -0.77 32.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.458 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 46' ' ' CYS . 2.3 m-20 -65.46 -27.92 68.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.031 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.41 ' OG ' HG23 ' A' ' 32' ' ' VAL . 16.4 m -85.74 142.7 37.16 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.415 175.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.33 -33.64 22.95 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 123.684 2.923 . . . . 0.0 113.806 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -39.88 91.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.161 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 44.2 mtmt 44.7 74.24 0.13 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.87 0.732 . . . . 0.0 112.354 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 1.4 m80 -79.08 -38.02 37.35 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.053 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . . . -64.91 -46.82 80.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.406 HG23 ' CG ' ' A' ' 47' ' ' ASP . 22.9 p -67.07 -45.15 78.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -67.08 -36.83 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.675 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.78 -40.52 88.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.992 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.71 -41.3 97.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -64.89 -32.01 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.042 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.44 -43.66 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.3 p -99.54 -28.11 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.7 43.15 9.3 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.151 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -110.75 95.88 25.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 99.0 Cg_endo -79.29 -17.76 11.44 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.786 2.324 . . . . 0.0 114.126 -171.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.5 mt -103.06 120.74 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.411 0.624 . . . . 0.0 111.805 -176.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.592 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 27.8 pt -121.61 131.72 72.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.144 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 35.6 tt0 -101.03 146.92 26.81 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.21 101.2 0.53 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.901 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 50.5 t80 -91.09 -57.73 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 5.3 t70 -72.14 -49.67 9.57 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.694 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 12.3 Cg_exo -70.89 112.76 3.36 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.813 1.675 . . . . 0.0 111.21 174.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.25 76.87 2.96 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.051 2.501 . . . . 0.0 112.216 -176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.01 -62.58 1.22 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.253 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 109.06 75.85 0.89 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.346 178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -149.21 156.48 42.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.78 124.57 5.72 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.911 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 65.3 t-105 -99.69 137.61 37.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.4 t -118.71 106.56 12.7 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -50.66 -52.27 41.38 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' OD1' ' A' ' 81' ' ' ASP . 14.7 m -64.77 -19.74 26.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.1 m-20 -102.29 -31.81 10.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.91 28.12 14.5 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.606 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.13 155.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.104 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.6 ttm -121.03 123.13 41.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.693 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 38.3 p90 -112.52 162.6 15.46 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.529 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 133.35 35.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.6 mt -135.68 22.41 3.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.403 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.577 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 32.8 t -57.69 -33.06 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.977 -173.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.38 1.26 55.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 0.0 111.59 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -134.22 6.97 3.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.18 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.606 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.8 ptm -67.06 153.66 43.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -167.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -91.8 102.77 6.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.862 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 91' ' ' MET . 12.1 Cg_exo -70.96 157.8 57.09 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.663 2.242 . . . . 0.0 112.11 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.648 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 9.0 p80 -49.43 126.93 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.664 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.48 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.849 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -155.17 -153.69 6.61 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.623 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.04 136.85 28.01 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.963 2.442 . . . . 0.0 111.391 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.0 mt -128.23 124.36 22.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.23 106.8 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.675 2.25 . . . . 0.0 111.804 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -86.6 112.7 21.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -85.91 -52.88 5.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.333 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 32' ' ' VAL . 2.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.321 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -56.02 -28.25 56.57 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.01 -25.45 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.388 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.582 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 21.2 t -66.08 -30.14 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-O 121.227 0.537 . . . . 0.0 110.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -13.91 62.41 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.835 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -9.63 39.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.985 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.7 pt -88.03 154.62 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.962 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -129.46 174.25 9.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.9 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -85.48 108.91 18.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.3 166.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.386 0.612 . . . . 0.0 112.444 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 52.6 m -108.02 121.95 42.24 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.167 175.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -59.78 123.64 13.69 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.842 2.361 . . . . 0.0 112.777 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 -33.08 74.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.551 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 166.83 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.361 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.23 -44.32 68.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -131.76 -152.64 7.22 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.441 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.0 t -79.32 97.49 6.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.56 -30.58 71.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.357 -174.646 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.52 -41.36 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.262 0.553 . . . . 0.0 109.978 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 29' ' ' SER . 87.7 m -67.99 -30.07 69.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 22' ' ' GLU . 91.5 mt -68.48 -19.59 64.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.878 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -76.61 -16.51 59.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.69 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.4 -1.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.85 47.16 33.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.045 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 45.1 t -96.23 112.18 58.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.754 0.311 . . . . 0.0 110.501 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.11 115.87 3.7 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.022 2.481 . . . . 0.0 112.213 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -86.22 155.64 20.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.45 -53.6 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.912 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -137.98 168.79 18.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD13 ' HA2' ' A' ' 20' ' ' GLY . 97.7 mt -128.84 135.09 48.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 111.132 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 66' ' ' ILE . 50.8 mtt180 -130.79 134.14 46.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.797 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 69' ' ' TYR . 10.1 tt -125.43 137.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.549 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 m -67.72 147.1 53.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.342 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -86.65 36.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.275 0.56 . . . . 0.0 109.502 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -139.6 -67.57 0.44 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.287 -174.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.7 -19.69 23.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.15 83.43 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.412 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -87.39 128.12 35.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.53 131.1 37.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.437 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.01 148.46 18.14 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.675 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 29.9 p -73.07 140.18 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.934 0.367 . . . . 0.0 110.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.98 164.05 4.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.43 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.617 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.7 p-10 -72.2 -4.63 30.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.412 -175.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.18 -47.22 86.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -78.92 141.33 58.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.149 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.1 -19.48 56.62 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.244 2.629 . . . . 0.0 113.057 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 58.3 t-80 -66.67 -35.61 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.954 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 59.7 mtmt 42.88 52.35 5.15 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.003 0.814 . . . . 0.0 112.654 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.416 ' HB3' ' H ' ' A' ' 45' ' ' CYS . 7.6 t-160 -73.19 -16.99 61.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -46.33 26.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.527 ' OG1' ' HB3' ' A' ' 52' ' ' LYS . 17.1 p -77.59 -47.59 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.693 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.75 -33.39 72.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 110.517 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.717 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.14 -44.42 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -28.38 67.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.117 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.81 -55.01 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.764 0.316 . . . . 0.0 111.677 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.0 p -79.35 -40.33 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.94 38.62 6.4 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.998 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -107.57 95.11 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 73.8 Cg_endo -75.94 -20.23 15.24 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 114.041 -170.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.3 mt -103.4 120.14 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.541 0.686 . . . . 0.0 111.683 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' HD3' ' A' ' 35' ' ' ARG . 21.2 pt -130.01 137.6 56.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.409 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.25 143.39 33.02 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.051 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.32 110.0 3.22 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.0 t80 -91.11 -37.77 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -172.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.1 p-10 -79.88 -33.62 0.8 Allowed Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 10.0 Cg_endo -90.68 122.41 0.86 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.894 1.729 . . . . 0.0 111.697 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 13.4 Cg_exo -71.34 50.7 1.29 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.391 2.728 . . . . 0.0 112.459 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 71' ' ' PRO . 39.2 mt-10 -98.36 -51.17 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 89.43 83.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.543 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -154.0 154.23 33.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.674 0.273 . . . . 0.0 110.523 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.07 121.32 5.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.885 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 70.7 t-105 -94.86 131.46 40.74 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.1 t -111.9 102.77 11.0 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 42.8 m-85 -43.56 -65.58 0.48 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -174.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.48 -22.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.98 -32.78 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 67.76 26.96 7.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.364 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.02 153.75 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.326 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.9 ttm -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.953 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 36.6 p90 -104.57 157.88 16.87 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -81.62 135.96 35.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 mt -133.73 17.78 3.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.387 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.527 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.0 p -61.24 -29.7 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.748 -172.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -83.58 -5.23 59.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.268 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -138.23 22.76 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.302 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.2 152.91 36.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.498 . . . . 0.0 112.295 -170.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 124.2 89.86 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.598 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.52 142.27 70.78 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.64 2.227 . . . . 0.0 112.405 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -70.22 125.37 26.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.531 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -73.2 -28.72 62.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.7 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.67 -175.71 38.95 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.912 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.25 112.97 3.57 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.033 2.488 . . . . 0.0 111.557 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 58.3 mt -89.84 126.35 57.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 20.4 Cg_exo -65.43 122.12 9.73 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.721 2.281 . . . . 0.0 111.351 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -103.43 110.29 22.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.11 -13.31 57.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.95 0.405 . . . . 0.0 110.622 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.753 177.675 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 46.4 t . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.42 0.152 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 7.4 ptp85 -55.71 -26.94 47.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.135 0.574 . . . . 0.0 112.4 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.94 -24.06 49.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.231 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -59.97 -28.78 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.121 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -9.57 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.33 -10.78 50.34 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.486 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.56 HD13 HG21 ' A' ' 65' ' ' ILE . 47.9 pt -101.01 149.49 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -133.78 -179.58 5.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -80.18 104.08 10.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG21 ' HA2' ' A' ' 41' ' ' GLY . 16.9 m -98.73 172.0 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.203 -171.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.3 m -102.97 124.67 37.76 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.545 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 38.2 Cg_exo -60.94 114.89 2.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.827 2.351 . . . . 0.0 112.352 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -57.35 -39.53 76.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.9 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.32 167.38 20.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.956 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' HA3' ' A' ' 96' ' ' GLY . 53.3 mt -78.18 -38.83 42.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.638 0.732 . . . . 0.0 109.25 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -127.53 -150.21 7.34 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.704 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 6.7 p -81.62 103.85 11.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.253 0.526 . . . . 0.0 110.17 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.52 52.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.394 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 31.8 tp10 -56.61 -57.82 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.197 0.523 . . . . 0.0 110.6 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.932 0.396 . . . . 0.0 110.722 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 ' HZ3' ' A' ' 31' ' ' TRP . 63.4 mt -71.17 -15.85 62.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.3 ptmt -76.44 -18.47 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.232 -178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.495 HG23 ' HG3' ' A' ' 26' ' ' LYS . 14.3 pt -122.74 -3.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.33 26.52 51.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.825 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -91.27 147.21 35.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 122.67 -0.312 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.95 176.72 9.09 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.683 2.255 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.471 ' HZ3' HD21 ' A' ' 25' ' ' LEU . 15.7 p90 -142.28 164.97 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 t -101.56 -55.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 34.6 m80 -136.58 156.88 47.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.347 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD13 ' HA2' ' A' ' 20' ' ' GLY . 92.9 mt -122.69 139.33 54.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.7 mtt180 -125.5 121.2 33.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.487 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -96.46 120.91 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.998 0.904 . . . . 0.0 109.49 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 114.01 10.28 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.443 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 9.6 mmm180 -72.78 4.35 4.17 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.76 -54.18 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.311 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.9 -6.12 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.375 -173.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 77.59 17.32 79.15 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.662 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 137.82 33.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 44' ' ' GLY . 4.1 t -88.88 169.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -169.05 149.64 14.08 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 p -76.48 138.29 40.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.73 0.3 . . . . 0.0 110.296 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 50.8 t -62.43 167.39 4.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.857 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 2.1 p30 -65.81 -9.57 29.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.401 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.9 -24.64 66.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.191 173.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -94.4 141.09 23.04 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.537 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.52 -31.76 50.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.323 2.682 . . . . 0.0 113.361 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HE1' HD11 ' A' ' 27' ' ' ILE . 8.0 m80 -67.89 -43.69 78.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.602 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 48.6 mtmt 54.86 42.9 30.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.299 0.374 . . . . 0.0 111.194 -177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -68.33 -23.8 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.219 -174.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.74 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.6 0.238 . . . . 0.0 111.562 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -79.72 -43.03 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.801 0.334 . . . . 0.0 110.868 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -61.47 -34.51 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.834 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -56.81 -42.28 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.055 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 22.6 t80 -62.3 -40.63 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.981 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -65.06 -26.93 68.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.826 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 -46.08 8.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.199 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.9 p -93.78 -23.64 18.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.01 50.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.885 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -102.01 97.91 9.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.5 Cg_endo -84.33 9.56 4.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.198 2.598 . . . . 0.0 115.113 -166.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 HD13 ' A' ' 11' ' ' ILE . 42.4 mt -131.91 127.71 58.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 111.957 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.6 pp -126.85 154.78 37.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.091 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.692 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.6 tt0 -118.01 141.52 48.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.069 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.98 110.89 3.67 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.505 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 22.1 t80 -95.91 -31.09 13.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.631 0.253 . . . . 0.0 111.65 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.2 p-10 -81.6 -35.24 0.75 Allowed Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.059 -0.495 . . . . 0.0 112.2 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 1.5 Cg_endo -83.9 123.16 3.14 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.799 1.666 . . . . 0.0 110.888 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 11.9 Cg_exo -71.68 39.67 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.287 2.658 . . . . 0.0 112.932 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -98.33 -53.14 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.664 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.11 84.66 1.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.031 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 36.2 p-90 -147.13 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.39 143.43 14.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.141 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.565 ' HB3' HD11 ' A' ' 66' ' ' ILE . 48.3 t-105 -119.84 128.29 53.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.31 106.75 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -51.7 -61.38 2.29 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.45 HG13 ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -65.37 -21.35 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 2.8 m-20 -89.61 -30.62 18.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 110.179 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.72 28.61 17.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.627 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 81' ' ' ASP . 33.7 m -110.51 144.3 18.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.578 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.464 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 26.7 ttt -110.85 137.64 48.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.037 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.32 150.05 42.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 156.89 22.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.211 0.529 . . . . 0.0 110.755 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 90' ' ' ARG . 90.4 mt -126.6 45.6 2.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.532 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -47.51 -43.56 24.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -103.86 5.93 36.16 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD2' HD22 ' A' ' 87' ' ' LEU . 60.5 mtt180 -115.81 -9.51 11.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.59 0.233 . . . . 0.0 110.398 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.692 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ptm -56.75 138.9 52.34 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.637 -170.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -93.96 116.21 66.15 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.456 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.28 146.96 52.26 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.242 1.962 . . . . 0.0 110.662 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 6.1 p-80 -62.15 130.64 46.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 110.445 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.47 -0.44 56.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.239 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -159.35 174.69 36.28 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.68 114.04 3.83 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.531 2.154 . . . . 0.0 112.139 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.411 HD11 ' CE2' ' A' ' 69' ' ' TYR . 49.5 mt -94.51 111.4 53.72 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.98 124.93 16.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.921 2.414 . . . . 0.0 112.363 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 100' ' ' ARG . 8.1 tmm_? -84.14 101.65 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.19 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -87.13 -26.01 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.036 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 3.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.012 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 29.3 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.32 -18.26 60.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.42 -24.86 61.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -58.69 -28.9 38.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 178.42 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.61 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.76 -12.55 59.17 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.688 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 HD13 HG21 ' A' ' 65' ' ' ILE . 46.5 pt -100.17 152.58 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.01 0.433 . . . . 0.0 110.526 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.465 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.62 177.49 7.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.096 -179.016 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -77.91 104.69 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 ' HA2' ' A' ' 41' ' ' GLY . 25.9 m -93.99 176.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.242 -174.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.6 m -119.73 122.83 28.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 175.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 32.3 Cg_exo -60.69 119.7 7.01 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.827 2.352 . . . . 0.0 112.18 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -79.26 -22.64 44.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.07 148.35 50.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.5 mp -79.06 -68.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.66 -152.79 28.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 45.9 t -82.93 107.65 15.68 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.516 -0.402 . . . . 0.0 110.806 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -45.16 -45.51 11.5 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.891 0.744 . . . . 0.0 111.517 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 tp10 -58.35 -59.15 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.106 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 29' ' ' SER . 63.2 m -61.33 -35.87 78.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 92.0 mt -68.52 -21.23 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 14.2 ptmt -71.41 -20.56 62.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.597 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.82 -6.78 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.473 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.35 44.04 7.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.977 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 42.2 t -110.19 147.78 36.98 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.42 174.74 12.29 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.411 2.074 . . . . 0.0 112.068 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -140.48 -179.65 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.416 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.08 -56.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 40.9 m80 -141.35 163.44 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 92.4 mt -117.56 138.97 51.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.098 0.475 . . . . 0.0 111.256 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HD2' HD12 ' A' ' 66' ' ' ILE . 19.6 mmt85 -121.34 115.44 22.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.272 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.3 tt -96.35 128.58 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.888 0.851 . . . . 0.0 110.068 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -77.99 117.01 18.9 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.907 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.9 mmm180 -72.26 -0.95 13.48 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 m -95.05 -51.65 4.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.843 0.354 . . . . 0.0 111.41 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.8 p -117.69 1.36 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.368 -172.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 71.18 20.03 77.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.863 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -94.9 134.3 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.822 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.61 139.26 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.596 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.51 164.18 25.14 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.0 p -73.43 143.58 46.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.826 0.313 . . . . 0.0 110.236 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 34.5 t -64.59 170.34 4.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.7 p-10 -66.69 -16.52 64.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.708 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.995 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -83.7 133.24 46.89 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.07 -33.65 15.52 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 124.319 3.346 . . . . 0.0 114.51 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.574 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 23.7 m-70 -66.86 -38.0 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.047 -176.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 53.7 mtmt 43.85 44.44 5.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 0.0 112.552 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -75.19 -16.2 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.782 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.6 83.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.796 0.331 . . . . 0.0 110.594 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -71.71 -42.46 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.4 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -61.81 -30.06 70.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.151 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.84 -35.59 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.299 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.14 -27.56 64.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.558 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.69 -52.92 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.81 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.4 p -92.08 -40.66 10.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.66 35.34 6.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.659 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -104.97 102.74 37.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.2 Cg_endo -83.62 -0.3 9.7 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.124 2.549 . . . . 0.0 115.215 -166.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.497 HG21 HD13 ' A' ' 11' ' ' ILE . 49.5 mt -124.21 126.77 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.512 0.672 . . . . 0.0 112.349 -176.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HD2' ' A' ' 35' ' ' ARG . 28.3 pt -127.72 158.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.151 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 36' ' ' ILE . 38.3 tt0 -125.12 151.45 45.71 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.007 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.08 108.36 2.47 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.031 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -96.1 -37.37 10.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.0 110.645 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.63 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 15.8 t70 -71.34 -46.81 13.74 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 176.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 33.2 Cg_endo -98.55 90.01 0.06 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.538 2.158 . . . . 0.0 110.431 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 6.2 Cg_exo -78.13 49.34 2.96 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.46 2.773 . . . . 0.0 112.6 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -84.06 -3.93 58.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.668 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 77.86 68.93 1.45 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.484 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.603 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 60.4 p-90 -140.58 143.11 35.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 178.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.37 137.92 13.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -111.08 130.86 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -111.2 114.49 27.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 65.7 m-85 -54.03 -65.07 0.63 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -172.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -64.92 -20.16 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -89.27 -34.81 16.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.133 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 63.96 28.74 14.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.273 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 81' ' ' ASP . 23.3 m -110.68 148.65 13.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.47 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.4 ttp -120.22 123.74 43.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.522 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -125.94 166.78 16.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -84.16 136.1 34.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.196 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.5 mt -134.73 20.35 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.167 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 47.4 t -57.77 -33.44 68.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 111.745 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -94.63 6.43 48.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.848 0.356 . . . . 0.0 110.712 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -138.79 16.38 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -72.78 168.93 17.79 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.351 0.596 . . . . 0.0 112.49 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -88.53 129.28 49.72 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.03 122.59 9.2 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.225 1.95 . . . . 0.0 111.439 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -61.32 144.4 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.663 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -87.44 -33.35 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.77 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.64 -169.81 22.52 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.184 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.48 143.79 35.16 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.812 2.341 . . . . 0.0 112.055 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.2 mt -118.46 126.72 27.01 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.213 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.74 108.44 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 111.736 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -77.23 111.31 12.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.937 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -100.72 -22.7 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.0 179.049 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -59.24 -24.84 63.52 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 34.9 m170 -62.79 -25.11 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -64.45 -27.57 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.981 0.42 . . . . 0.0 110.72 -177.551 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 -0.59 18.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 110.961 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.29 11.84 24.01 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.485 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.763 HG12 ' O ' ' A' ' 8' ' ' VAL . 28.6 pt -100.36 152.23 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.167 0.508 . . . . 0.0 110.432 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -132.75 158.98 41.04 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.333 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 58.4 m -74.04 104.47 4.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 20.3 m -98.93 175.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.533 -170.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 38.0 m -109.2 126.95 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.111 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 24.6 Cg_exo -63.45 123.62 12.4 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.876 2.384 . . . . 0.0 112.157 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.9 m -63.57 -28.66 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 172.49 16.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.549 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 8.1 mp -65.82 -54.9 20.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.07 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.23 -144.43 12.1 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.436 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.76 122.18 22.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.612 0.244 . . . . 0.0 110.404 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.57 -44.48 72.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.737 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.64 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 42.4 tt0 -61.42 -45.02 96.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 29' ' ' SER . 92.7 m -63.92 -39.06 93.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.859 0.361 . . . . 0.0 111.072 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.97 -17.57 62.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 23' ' ' GLU . 9.9 ptmt -85.81 -14.04 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.925 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -126.44 -10.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.85 48.84 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.428 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.564 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 29.2 t -109.1 145.72 32.35 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -80.32 -176.03 3.0 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.658 2.239 . . . . 0.0 112.523 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CD1' HD21 ' A' ' 34' ' ' LEU . 5.4 p90 -158.87 162.58 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.486 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.529 HG22 HG21 ' A' ' 102' ' ' VAL . 46.3 t -102.12 -64.81 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 175.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 35.5 m80 -123.39 158.13 31.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.93 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 70' ' ' ASP . 2.9 mm? -119.85 132.15 55.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.614 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 98.9 mtt180 -117.64 116.87 27.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.21 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 67' ' ' GLU . 15.8 tt -96.24 119.12 43.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 122.192 0.996 . . . . 0.0 109.394 175.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.43 109.8 6.38 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.465 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 14.6 mmm-85 -69.36 6.66 0.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -101.2 -49.96 3.92 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.13 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.5 p -118.34 -3.25 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.742 0.306 . . . . 0.0 111.49 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 81.26 8.35 87.33 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 114.389 174.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.444 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 11.1 t-80 -88.15 122.26 31.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 117.683 0.741 . . . . 0.0 109.81 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.49 130.58 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.326 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.08 156.51 22.6 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 4.6 p -73.42 143.34 46.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.915 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 35.6 t -66.54 171.37 5.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.077 -178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 7.4 p-10 -76.87 0.25 21.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 15.0 m-20 -71.51 -22.41 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.406 0.622 . . . . 0.0 109.776 171.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 m -99.4 144.57 28.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.014 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.35 -29.7 39.99 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.543 2.828 . . . . 0.0 113.355 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.1 m-70 -62.54 -49.1 76.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.952 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 51.9 mtmt 51.69 39.37 25.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.091 0.472 . . . . 0.0 111.358 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 -18.77 63.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.53 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . . . -64.11 -40.78 96.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.476 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -79.65 -40.03 30.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -56.73 -37.2 70.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.6 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.46 -44.65 96.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.406 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.16 -38.16 90.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.72 -31.78 72.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.4 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.13 -58.39 2.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -84.3 -30.08 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.61 41.53 12.9 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.816 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -107.0 100.28 31.23 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 84.3 Cg_endo -82.09 1.95 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.97 2.447 . . . . 0.0 114.772 -167.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -125.76 126.89 70.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.462 0.649 . . . . 0.0 111.897 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.61 155.59 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.861 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB3' HG23 ' A' ' 36' ' ' ILE . 42.2 tt0 -117.34 140.94 48.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.034 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.85 106.72 1.84 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.482 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 11.2 t80 -93.24 -34.54 13.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.687 0.279 . . . . 0.0 111.409 -172.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' HB3' HD23 ' A' ' 34' ' ' LEU . 2.6 p-10 -73.62 -35.72 2.69 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.819 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 12.3 Cg_endo -92.7 117.67 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 121.99 1.794 . . . . 0.0 111.355 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.9 Cg_exo -70.81 25.17 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.393 2.729 . . . . 0.0 113.034 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 71' ' ' PRO . 35.8 mm-40 -77.79 -35.86 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.591 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 84.43 0.59 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.293 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -143.58 153.72 42.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.723 0.296 . . . . 0.0 110.493 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.33 135.52 10.3 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.123 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 66.0 t-105 -110.62 128.19 55.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.4 t -106.58 110.52 22.74 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -53.16 -60.15 3.66 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.3 m -67.05 -20.97 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -87.98 -38.96 15.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.169 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 65.64 28.69 11.16 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.825 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 81' ' ' ASP . 34.6 m -115.63 136.38 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.867 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -100.69 124.5 46.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.944 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -117.91 171.06 8.32 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 146.6 24.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.96 0.41 . . . . 0.0 110.263 -175.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.4 mt -137.94 19.43 2.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.002 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -54.82 -38.74 67.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.214 -172.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.06 -21.13 54.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.815 0.341 . . . . 0.0 111.328 -175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -125.98 15.23 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -170.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 ptm -70.26 162.46 28.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 m -84.21 115.24 59.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.29 139.06 81.01 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.447 2.098 . . . . 0.0 111.363 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 36.9 p-80 -63.55 136.76 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.658 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 19' ' ' LEU . 32.4 p-10 -85.18 -7.45 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.21 174.16 46.8 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.69 115.98 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.813 2.342 . . . . 0.0 111.864 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.6 mt -89.9 114.95 62.67 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.86 118.53 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.357 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.64 113.35 17.72 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.09 -46.99 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.291 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.529 HG21 HG22 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 C--O 1.245 0.85 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.33 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.3 t . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.523 0.201 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -56.8 -26.54 58.19 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -62.49 -26.32 68.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.193 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 11' ' ' ILE . 17.1 t -67.7 -30.87 50.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.15 0.5 . . . . 0.0 110.787 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.64 -6.57 41.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.546 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.84 0.19 22.97 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.157 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 8' ' ' VAL . 40.1 pt -91.82 152.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 117.173 0.487 . . . . 0.0 111.184 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -112.55 176.67 4.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.485 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 29.8 m -95.83 123.12 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.0 m -110.38 167.28 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.345 0.593 . . . . 0.0 112.339 -170.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.5 m -103.04 125.16 36.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.48 173.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.676 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 31.8 Cg_exo -58.65 115.21 2.39 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.793 2.329 . . . . 0.0 112.77 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -56.52 -35.26 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.318 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.99 176.02 9.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.96 -44.57 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.806 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.23 -148.56 7.95 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -72.32 91.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.929 0.364 . . . . 0.0 110.133 175.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.69 -38.08 14.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.604 0.716 . . . . 0.0 110.428 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 69.6 tt0 -61.37 -65.52 0.68 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.449 -1.251 . . . . 0.0 111.521 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.14 -30.08 71.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.68 -27.2 68.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 19.9 ptmt -69.97 -22.8 63.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.777 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 26' ' ' LYS . 21.8 pt -116.84 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.447 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.01 37.3 91.98 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.761 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -105.04 142.17 24.1 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.26 -169.05 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.554 2.169 . . . . 0.0 112.178 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.1 p90 -156.72 167.33 30.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.895 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 22.3 t -96.33 -56.95 4.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.4 m-70 -133.07 176.59 8.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.362 176.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 86.6 mt -128.83 137.84 51.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -174.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 66' ' ' ILE . 96.8 mtt180 -139.47 146.73 40.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 67' ' ' GLU . 9.4 tt -135.43 136.07 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.7 m -64.03 147.98 50.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.072 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.577 ' HD3' ' HB2' ' A' ' 67' ' ' GLU . 9.4 mmm180 -85.9 30.35 0.67 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 170.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -140.06 -74.58 0.35 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.582 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.7 p -85.0 -6.53 59.33 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -174.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.68 12.1 63.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.068 -0.587 . . . . 0.0 114.116 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -94.28 135.49 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.347 0.574 . . . . 0.0 110.442 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.98 139.05 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.506 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 166.63 26.29 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.57 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 18.7 p -78.35 140.01 38.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 m -80.59 178.55 8.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.334 -173.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.464 ' HB3' HG23 ' A' ' 55' ' ' THR . 12.2 p-10 -77.83 -11.36 59.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 0.0 110.317 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.519 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.4 p30 -77.01 -22.28 53.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 171.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -91.42 146.77 33.97 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.772 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 -40.66 17.61 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.997 3.131 . . . . 0.0 114.707 -173.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 7.9 m170 -67.92 -36.97 81.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 49.35 43.99 23.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.118 0.567 . . . . 0.0 110.998 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -79.14 -26.76 42.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.209 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.92 78.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 HG23 ' HB3' ' A' ' 47' ' ' ASP . 22.3 p -73.79 -47.82 36.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.301 0.572 . . . . 0.0 110.746 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.64 -35.93 82.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.88 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -62.07 -36.44 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.538 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -62.1 -43.01 99.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.016 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -64.82 -34.09 77.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.54 -51.7 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.2 p -99.0 -26.44 14.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 47.33 5.81 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.363 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -110.9 94.72 21.13 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.07 -6.31 10.34 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.316 2.677 . . . . 0.0 114.752 -168.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.502 HG21 HD13 ' A' ' 11' ' ' ILE . 31.3 mt -122.75 128.72 75.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 111.584 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.63 HD12 ' HD3' ' A' ' 35' ' ' ARG . 5.1 pt -124.85 138.27 54.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.456 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.586 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 7.3 tp10 -89.37 148.95 23.22 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.219 175.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.04 102.81 1.95 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.455 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' ' 16' ' ' PRO . 12.4 t80 -86.35 -33.38 20.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.973 0.416 . . . . 0.0 110.074 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -69.07 -50.97 19.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.757 175.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.8 Cg_endo -103.44 84.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.874 2.383 . . . . 0.0 111.345 166.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 4.0 Cg_exo -73.42 73.51 3.35 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.818 2.345 . . . . 0.0 111.956 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.28 -10.19 15.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.584 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.24 82.1 1.25 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.656 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.547 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 63.0 p-90 -158.39 151.99 23.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.963 0.411 . . . . 0.0 110.096 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 66' ' ' ILE . . . -125.84 134.6 8.77 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.771 -176.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.553 ' HB3' HG13 ' A' ' 66' ' ' ILE . 68.8 t-105 -101.73 127.63 48.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -100.76 105.76 17.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -46.67 -71.28 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.29 -24.78 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -173.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 3.9 m-20 -83.7 -31.18 26.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.001 0.429 . . . . 0.0 110.338 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.98 28.41 14.42 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.25 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.72 147.12 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.668 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -106.82 150.77 26.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.462 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 23.7 p90 -146.47 168.7 20.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.46 147.03 23.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.021 0.438 . . . . 0.0 110.439 -178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.26 35.07 3.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.602 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -55.22 -38.26 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.698 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.31 -20.77 62.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -127.64 24.26 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.767 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -59.83 141.94 54.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.586 ' HB ' ' HG2' ' A' ' 67' ' ' GLU . 41.9 m -101.14 111.07 62.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.28 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.88 160.7 33.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.766 2.311 . . . . 0.0 112.39 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -66.62 151.79 46.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 41.2 t-20 -69.88 -53.88 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.488 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.48 -156.93 8.14 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.962 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.04 113.52 2.42 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.982 2.455 . . . . 0.0 112.104 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.1 mt -94.01 127.99 42.95 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.678 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.08 103.95 0.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.514 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -82.47 128.5 34.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.558 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.39 -57.52 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.245 0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 178.289 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 30.9 p . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -31.26 12.31 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.49 -23.91 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.59 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -61.5 -29.34 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -178.506 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.47 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.888 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.57 -32.35 11.71 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.741 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 ' HA ' ' A' ' 8' ' ' VAL . 48.4 pt -75.8 152.61 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 111.395 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.05 174.28 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.405 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 119.16 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.423 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 16.4 m -107.87 156.26 8.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.62 -172.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -96.25 127.11 41.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.168 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.56 122.98 11.03 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.591 2.194 . . . . 0.0 111.967 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -66.89 -32.49 73.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 -178.07 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.763 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.26 -62.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.484 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 31' ' ' TRP . . . -109.05 -152.87 15.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.405 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.4 m -66.9 112.98 4.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CD ' ' HD1' ' A' ' 42' ' ' HIS . 35.9 mt-10 -52.13 -46.23 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.965 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 41.0 tt0 -60.55 -46.05 91.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.462 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 29' ' ' SER . 71.3 m -65.63 -30.25 70.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.685 0.279 . . . . 0.0 111.226 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 89.9 mt -67.7 -22.77 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.9 ptmt -73.0 -20.36 61.03 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.183 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.598 HG23 ' HG3' ' A' ' 26' ' ' LYS . 17.8 pt -125.62 -5.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.91 47.14 9.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.754 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 47.1 t -101.27 141.62 22.97 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 173.1 14.15 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.425 2.083 . . . . 0.0 112.12 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 20' ' ' GLY . 15.0 p90 -149.56 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.212 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.8 t -92.36 -68.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 39.5 m80 -126.74 146.73 50.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 0.0 110.285 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 88.0 mt -96.96 134.15 40.7 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.53 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.7 mtt180 -127.58 118.21 23.5 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 92' ' ' THR . 12.4 tt -96.04 124.12 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.055 0.931 . . . . 0.0 109.808 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.4 t -72.79 112.94 9.29 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.749 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 10.2 mmm180 -72.92 8.69 1.43 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -171.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 m -107.94 -35.87 6.51 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.616 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.27 0.71 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.539 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 74.56 10.98 82.97 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.866 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.4 ' HD1' ' CD ' ' A' ' 22' ' ' GLU . 64.7 m-70 -94.76 143.06 26.75 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.748 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.02 124.92 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.112 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.96 150.88 18.15 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.382 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 p -73.05 126.32 29.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 26.3 p -68.69 177.12 2.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.101 -174.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -73.68 -6.36 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.726 179.062 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -74.13 -22.66 59.36 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 t -90.73 147.6 36.54 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.19 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.56 -9.95 22.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.845 2.364 . . . . 0.0 112.627 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -80.61 -57.75 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.941 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 35.3 mtmt 58.46 41.37 22.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.649 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -73.23 -24.1 60.45 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.37 84.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HE1' ' A' ' 79' ' ' TYR . 17.9 p -68.0 -45.94 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -66.63 -24.89 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.589 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.07 -34.52 78.23 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.869 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.79 -44.92 91.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.66 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -64.35 -26.87 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.869 0.366 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -56.78 3.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.989 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -92.1 -21.34 20.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.4 41.06 31.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.996 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.67 101.52 43.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.7 Cg_endo -81.45 -10.54 12.11 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.908 2.405 . . . . 0.0 115.285 -166.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.65 126.96 74.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.545 0.688 . . . . 0.0 112.397 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' OH ' ' A' ' 79' ' ' TYR . 31.7 pt -128.0 142.86 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.984 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 30.9 tt0 -101.07 145.93 28.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.29 100.24 1.14 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 174.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.715 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.3 t80 -83.09 -39.46 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.934 0.397 . . . . 0.0 110.58 -173.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.574 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 17.5 t70 -76.89 -52.8 1.91 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.802 178.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 31.7 Cg_exo -59.42 119.48 6.74 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.697 1.598 . . . . 0.0 111.961 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 23.1 Cg_exo -66.06 -1.8 5.83 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.251 2.634 . . . . 0.0 112.69 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 35.0 mt-10 -62.1 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.64 79.78 0.65 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.966 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 29.6 p-90 -138.29 165.63 26.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.823 0.344 . . . . 0.0 111.077 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.32 136.32 9.75 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.831 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -104.83 132.33 51.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.0 t -115.23 117.35 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' OH ' HD13 ' A' ' 66' ' ' ILE . 86.8 m-85 -58.07 -67.24 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -63.09 -21.35 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.81 -34.89 20.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 64.45 27.23 13.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.665 -175.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 81' ' ' ASP . 28.1 m -114.71 142.08 28.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.513 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.2 ttm -108.79 113.22 25.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -110.81 152.49 26.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.89 135.09 43.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.21 21.01 4.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.214 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -59.69 -33.8 72.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 111.916 -171.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.05 -20.15 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.174 0.511 . . . . 0.0 110.746 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 90' ' ' ARG . 44.7 mtt180 -122.92 22.58 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.0 ptm -84.2 167.21 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.317 0.58 . . . . 0.0 112.017 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.48 HG21 HD13 ' A' ' 36' ' ' ILE . 27.9 m -87.07 127.68 58.52 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.479 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_exo -66.41 136.42 43.21 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.81 2.34 . . . . 0.0 111.887 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.715 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 42.2 p-80 -78.64 129.56 34.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.21 6.23 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.533 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.36 173.75 37.22 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.72 109.54 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.628 2.219 . . . . 0.0 111.434 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 64.3 mt -80.65 131.21 61.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.365 -176.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 15.2 Cg_exo -68.8 107.9 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.825 2.35 . . . . 0.0 111.989 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -104.11 111.59 24.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -83.72 -25.66 30.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.082 -171.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.523 -175.869 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 p . . . . . 0 CA--C 1.527 0.072 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -57.61 -26.08 61.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 33.2 m170 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.3 176.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.83 -27.34 40.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-O 121.112 0.482 . . . . 0.0 110.393 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.13 -3.84 41.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.8 -3.55 39.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.863 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 pt -88.07 151.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -117.99 167.49 11.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 m -80.38 99.43 7.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.433 0.635 . . . . 0.0 109.681 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -95.8 166.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.805 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 m -114.37 129.59 24.75 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.235 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.47 131.8 48.37 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.099 2.533 . . . . 0.0 112.927 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.631 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 1.2 m -61.89 -40.65 96.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.62 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 -179.08 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.536 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 19' ' ' LEU . 6.2 mp -78.53 -47.99 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -111.66 -165.0 17.85 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.716 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.733 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 42.8 t -78.85 104.15 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.99 -43.02 50.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.533 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 45.4 tt0 -52.88 -57.4 10.39 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.97 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 27.9 p -70.39 -28.26 64.95 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.199 -0.313 . . . . 0.0 111.146 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.4 -28.18 66.68 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 27' ' ' ILE . 20.2 ptmt -69.05 -23.84 64.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -118.93 2.43 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 0.0 111.232 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.39 46.86 61.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.339 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.764 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 43.8 t -95.82 123.6 55.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 12.7 Cg_exo -69.18 129.59 18.49 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 0.0 112.349 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.437 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 21.0 p90 -94.77 161.35 14.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.275 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.76 -51.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.158 0.504 . . . . 0.0 109.821 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.417 ' HB3' ' NH2' ' A' ' 35' ' ' ARG . 87.5 m-70 -138.37 150.49 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.347 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' HA2' ' A' ' 20' ' ' GLY . 89.6 mt -125.79 135.45 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.584 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -127.14 140.12 52.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.014 0.435 . . . . 0.0 110.343 175.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -102.74 124.8 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.75 109.58 7.37 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.358 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.16 1.87 3.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.134 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -95.86 -54.64 3.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.06 0.457 . . . . 0.0 111.177 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.5 -16.85 14.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.105 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.01 13.8 57.19 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.62 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.631 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 18.7 t60 -91.09 132.75 35.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.353 0.576 . . . . 0.0 110.479 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.9 139.91 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.536 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.75 150.81 22.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.121 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 8.7 p -73.59 148.65 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.9 175.63 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.794 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.0 p-10 -70.01 -20.35 63.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.82 -24.24 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.355 0.598 . . . . 0.0 110.157 175.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 m -86.74 148.94 47.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.492 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.56 4.23 0.88 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.246 2.63 . . . . 0.0 114.435 -170.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.8 m-70 -109.86 -27.57 9.21 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.344 . . . . 0.0 111.695 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 44.0 mtmt 49.62 41.63 21.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.043 0.449 . . . . 0.0 110.757 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -69.31 -21.9 63.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.311 -171.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.78 -46.56 30.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.327 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 p -72.05 -45.31 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.34 -39.57 67.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.812 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.86 -42.71 97.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.269 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.75 -42.02 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -64.92 -27.7 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.47 -44.64 11.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -98.07 -31.95 11.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.55 35.47 13.87 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.797 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -103.21 98.73 12.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 97.7 Cg_endo -84.05 7.14 5.36 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.977 2.451 . . . . 0.0 115.077 -166.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.7 124.91 60.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.396 0.617 . . . . 0.0 112.019 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 35' ' ' ARG . 38.6 pt -126.33 141.31 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.935 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 36' ' ' ILE . 37.1 tt0 -103.05 143.87 32.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.162 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 71' ' ' PRO . . . -67.52 104.71 1.19 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.644 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -93.63 -31.26 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.529 0.204 . . . . 0.0 111.051 -175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.561 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.9 p-10 -79.28 -34.63 0.94 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.907 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 33.8 Cg_endo -99.01 109.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.357 2.038 . . . . 0.0 112.084 172.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.76 34.19 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 123.323 2.682 . . . . 0.0 113.056 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.8 mt-10 -78.91 -29.21 44.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.336 0.588 . . . . 0.0 109.789 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.86 76.8 1.19 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 57.3 p-90 -152.08 158.62 43.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 177.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.6 145.12 16.8 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.926 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -109.23 132.32 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -112.11 110.29 20.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 74.8 m-85 -52.21 -60.13 3.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 81' ' ' ASP . 19.0 m -66.99 -20.53 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -90.57 -31.9 16.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 110.326 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 68.81 20.84 7.91 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.778 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.73 145.92 18.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.903 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.0 ttp -110.5 107.96 17.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.56 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 78' ' ' CYS . 25.0 p90 -103.28 167.59 9.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.29 132.41 33.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.098 0.475 . . . . 0.0 111.448 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.0 mt -126.7 27.06 6.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.98 -15.26 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.604 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -103.48 -5.86 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.514 0.197 . . . . 0.0 111.28 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -132.64 8.48 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.623 -176.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -60.24 145.07 48.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.299 0.571 . . . . 0.0 112.17 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.9 m -71.42 132.74 85.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.299 -176.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.5 Cg_exo -66.55 117.45 4.74 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.658 2.239 . . . . 0.0 111.58 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -61.84 141.76 57.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.45 -1.09 57.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.54 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.17 179.15 42.88 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.161 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.92 115.7 3.84 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.253 2.635 . . . . 0.0 111.77 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.94 127.88 67.81 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 113.47 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.685 2.256 . . . . 0.0 111.733 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.89 106.65 18.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.31 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -84.41 -29.05 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 177.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.178 -179.313 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 16.0 ptt-85 -56.46 -29.49 61.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.852 0.358 . . . . 0.0 111.88 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -64.1 -24.61 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.515 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -62.2 -28.25 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.76 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.11 0.85 8.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.703 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.89 7.45 13.13 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.099 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 8' ' ' VAL . 32.1 pt -101.58 146.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.225 0.513 . . . . 0.0 111.134 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 13.5 ptm180 -132.54 172.49 12.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.83 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -80.36 99.63 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 14' ' ' VAL . 6.9 m -91.14 157.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.236 -171.442 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m -83.17 123.89 76.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.241 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.9 Cg_exo -61.8 119.21 6.22 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.678 2.252 . . . . 0.0 112.107 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -75.77 -28.43 58.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.9 162.44 35.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.963 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' HA3' ' A' ' 96' ' ' GLY . 86.9 mt -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -147.89 -128.23 1.77 Allowed Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.335 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -88.54 105.07 17.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -38.65 84.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.09 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 44.0 tt0 -67.82 -46.01 73.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 29' ' ' SER . 83.2 m -58.61 -33.54 70.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.01 -15.89 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.1 ptmt -77.69 -22.43 50.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 -178.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 26' ' ' LYS . 26.6 pt -123.23 1.04 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.597 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.19 37.84 54.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.279 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 36.8 t -88.49 129.7 48.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.651 0.262 . . . . 0.0 110.425 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.43 139.39 20.67 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.522 2.148 . . . . 0.0 112.221 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 34' ' ' LEU . 15.0 p90 -107.97 174.38 5.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.626 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 40.2 t -104.68 -59.04 3.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.35 157.81 45.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.68 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' HA2' ' A' ' 20' ' ' GLY . 91.7 mt -128.04 146.99 50.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.812 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.751 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -135.4 134.34 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.138 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.7 tt -97.61 122.15 48.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.862 0.839 . . . . 0.0 109.322 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.1 109.19 9.56 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.144 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.1 6.41 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 m -102.07 -33.86 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.484 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.53 -17.64 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.841 -173.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.99 9.1 59.88 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.507 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -88.21 127.53 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.259 -0.553 . . . . 0.0 109.889 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.3 t -95.19 136.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.78 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.51 161.99 27.33 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.932 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 28.3 p -76.14 145.2 40.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 74.1 m -72.73 -178.78 2.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.847 0.356 . . . . 0.0 111.354 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.21 -32.88 73.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.98 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.626 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -56.82 -32.02 65.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.822 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 15.3 m -86.02 136.61 36.0 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.142 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.45 -26.0 60.89 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.482 2.788 . . . . 0.0 114.302 -171.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -80.13 -14.06 58.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.27 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 37.59 54.68 1.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -76.18 -16.0 59.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.141 -0.349 . . . . 0.0 111.321 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.751 ' HA ' ' CZ ' ' A' ' 35' ' ' ARG . . . -69.18 -47.5 64.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.283 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -76.08 -49.81 16.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.572 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -62.39 -36.92 83.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.64 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -63.33 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.781 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.49 -44.84 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -70.72 -27.53 64.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.29 -43.36 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.183 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.3 p -103.56 -37.1 7.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.71 44.71 4.79 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.362 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -114.91 99.07 51.6 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.4 Cg_endo -83.79 0.82 9.19 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.963 2.442 . . . . 0.0 115.026 -167.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 11' ' ' ILE . 42.5 mt -125.66 130.54 72.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.57 0.7 . . . . 0.0 112.058 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG21 ' HE ' ' A' ' 35' ' ' ARG . 42.9 pt -131.59 155.26 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.196 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 38.7 tt0 -117.21 142.68 46.74 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.97 102.45 0.85 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.844 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.535 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.2 t80 -88.18 -30.85 19.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 0.0 110.434 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.522 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -79.32 -54.93 0.94 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.36 176.71 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 70' ' ' ASP . 41.7 Cg_endo -68.43 119.8 6.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.605 1.537 . . . . 0.0 111.899 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.68 36.99 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.166 2.577 . . . . 0.0 113.0 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.7 mt-10 -98.83 -37.56 9.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.55 75.47 0.89 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.022 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 41.0 p-90 -139.38 159.76 41.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.754 0.312 . . . . 0.0 110.637 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.65 141.11 14.81 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.283 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -112.84 135.0 54.09 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 5.8 t -112.28 111.75 22.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 78.3 m-85 -52.74 -63.05 1.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -170.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.64 -21.55 27.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.29 -37.8 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.025 0.44 . . . . 0.0 110.121 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 66.65 22.05 10.52 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.638 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 81' ' ' ASP . 32.8 m -105.76 137.84 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.07 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.0 ttm -107.51 129.63 54.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.806 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -129.68 151.06 50.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 143.54 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.165 0.507 . . . . 0.0 110.643 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -126.46 24.04 6.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.656 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -53.93 -31.0 48.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.53 -20.8 39.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.752 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 90' ' ' ARG . 50.7 mtt180 -118.46 12.02 13.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.576 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.9 ptm -65.13 142.71 58.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.241 0.543 . . . . 0.0 112.299 -168.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 4.2 m -84.47 120.4 74.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.401 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 92' ' ' THR . 29.2 Cg_endo -63.91 134.76 44.78 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.384 2.056 . . . . 0.0 111.449 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.535 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 9.3 p80 -72.78 125.09 26.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.61 13.93 7.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.683 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.495 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -165.92 168.19 39.58 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.803 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.53 93.14 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.001 2.467 . . . . 0.0 111.07 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 48.1 mt -75.85 118.11 68.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -175.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 13.0 Cg_exo -69.65 104.91 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.938 2.425 . . . . 0.0 112.737 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 102' ' ' VAL . 12.3 tpp85 -80.52 118.34 22.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.38 -29.7 16.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.496 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 100' ' ' ARG . 7.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.371 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.6 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.41 -23.13 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.52 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 31.4 m170 -58.33 -25.62 62.15 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 174.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.85 -27.33 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.042 -176.598 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -6.22 35.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.717 0.294 . . . . 0.0 111.608 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.05 -1.08 45.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.737 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 35.0 pt -101.28 152.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.686 0.279 . . . . 0.0 110.541 178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 -175.71 3.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.178 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 m -81.82 101.46 10.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 37' ' ' CYS . 27.5 m -95.84 165.16 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 m -121.34 127.99 25.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.881 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 95' ' ' ASN . 57.8 Cg_endo -72.74 142.34 35.5 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.48 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -111.42 8.21 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.13 145.82 27.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.37 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' HA3' ' A' ' 96' ' ' GLY . 83.0 mt -69.23 -49.3 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.081 0.467 . . . . 0.0 110.435 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.32 -142.04 4.94 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.336 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 53.9 t -74.48 105.12 5.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.351 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -46.4 -44.92 17.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.797 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp10 -61.19 -51.18 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.244 0.545 . . . . 0.0 110.648 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 29' ' ' SER . 61.2 m -66.22 -33.56 76.03 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.0 -21.56 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.8 ptmt -72.97 -23.9 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.166 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.576 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.71 -10.46 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.44 52.3 3.8 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.266 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 21.6 t -105.87 143.07 26.14 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.21 162.67 39.99 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.528 2.152 . . . . 0.0 112.542 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -145.13 163.78 33.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD2' ' A' ' 33' ' ' HIS . 47.9 t -89.15 -68.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.273 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.641 ' CD2' HG12 ' A' ' 32' ' ' VAL . 99.1 m-70 -139.77 166.89 23.4 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 2.6 mm? -111.69 147.16 36.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 0.0 111.571 -174.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 99.6 mtt180 -125.63 135.76 52.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.766 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -125.9 138.78 53.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' H ' ' A' ' 39' ' ' THR . 72.9 m -65.49 147.47 53.37 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.218 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.593 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 8.3 mmm180 -88.26 6.49 36.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.445 0.64 . . . . 0.0 109.492 168.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.459 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -102.02 -67.77 0.85 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.458 -179.32 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.31 -34.31 11.12 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.43 10.9 55.28 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.422 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -82.46 130.53 35.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.72 144.83 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.6 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.14 171.75 30.06 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 31.5 p -89.78 155.75 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.345 0.573 . . . . 0.0 110.292 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 78.3 m -58.7 160.17 5.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 175.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.41 -5.0 45.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.04 -44.91 87.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -71.7 131.22 86.23 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.79 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -42.75 -39.2 7.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 124.311 3.341 . . . . 0.0 114.71 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -42.2 76.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.564 0.221 . . . . 0.0 111.509 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt 48.14 53.03 12.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.392 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -69.14 -27.99 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.207 -174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.28 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.405 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -72.26 -40.47 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.182 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.23 -47.73 82.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.155 0.502 . . . . 0.0 109.786 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -64.48 -36.2 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.024 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.21 -46.37 85.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.591 0.234 . . . . 0.0 110.376 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.79 0.329 . . . . 0.0 111.091 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.28 26.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.127 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -108.6 -6.95 15.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.39 54.52 31.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.382 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -118.22 91.89 41.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.5 -15.58 13.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.012 2.475 . . . . 0.0 113.911 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 7' ' ' HIS . 63.9 mt -105.59 119.96 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.745 0.783 . . . . 0.0 111.525 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.452 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 24.6 pt -121.94 168.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.03 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -135.16 151.59 50.81 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.99 101.31 0.64 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.884 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 52.0 t80 -80.72 -31.54 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.224 0.535 . . . . 0.0 110.917 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 18.1 t70 -78.87 -51.35 1.37 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 4.2 Cg_exo -78.02 119.84 4.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.117 1.878 . . . . 0.0 111.793 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.1 Cg_exo -74.71 37.03 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.303 2.669 . . . . 0.0 112.964 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -90.49 -50.12 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.221 0.534 . . . . 0.0 110.661 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.37 69.83 1.02 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.062 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -133.64 146.48 50.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.33 151.71 18.34 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.67 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.442 ' HB3' HG13 ' A' ' 66' ' ' ILE . 61.0 t-105 -125.39 134.08 52.28 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 11.1 t -109.48 102.86 11.7 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -47.76 -53.57 14.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.479 HG23 ' OD1' ' A' ' 81' ' ' ASP . 20.2 m -68.09 -21.3 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 8.1 m-20 -96.31 -31.63 12.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.601 0.238 . . . . 0.0 110.709 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 69.57 23.05 6.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.807 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.62 145.07 18.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttm -108.01 130.35 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.648 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -130.62 161.3 31.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.877 0.37 . . . . 0.0 111.434 -176.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.01 128.0 33.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.522 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.26 18.23 6.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.298 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 t -61.65 -24.12 66.51 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -171.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -79.69 -11.23 59.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.002 0.43 . . . . 0.0 110.957 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -127.6 4.99 6.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 -176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 24.8 ptm -52.9 141.84 20.84 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.954 0.784 . . . . 0.0 113.059 -166.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.0 m -102.2 99.07 11.6 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.992 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 91' ' ' MET . 15.2 Cg_exo -69.02 158.04 59.48 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.674 2.25 . . . . 0.0 111.457 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 p-80 -74.95 136.17 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.417 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . 35.3 p-10 -72.81 -16.17 61.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.068 -172.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.509 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -146.49 164.95 28.38 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.023 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.12 113.58 2.46 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.636 2.224 . . . . 0.0 111.505 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.7 mt -80.88 129.32 68.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.12 123.97 14.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.803 2.335 . . . . 0.0 111.906 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -90.67 97.82 11.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.751 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -82.16 -47.55 12.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.909 0.385 . . . . 0.0 110.057 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.228 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' A' ' 86' ' ' ASP . 26.9 ttt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.488 0.185 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.5 m -151.41 144.28 24.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtt -59.93 120.36 9.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.245 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 124.56 8.87 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.927 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -64.64 167.29 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.248 0.219 . . . . 0.0 110.531 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -21.89 11.22 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.97 -30.34 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.672 0.272 . . . . 0.0 111.408 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.1 t -67.62 -29.43 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 110.443 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.95 -12.62 60.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.85 7.21 23.83 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.971 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 8' ' ' VAL . 48.2 pt -100.62 147.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.154 0.477 . . . . 0.0 110.522 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.31 -175.07 3.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.546 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 50.6 m -86.72 121.82 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.803 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.4 -174.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.523 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -124.2 127.47 25.32 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 27.1 Cg_exo -63.25 147.82 93.54 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.083 2.522 . . . . 0.0 112.412 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 10.6 t -80.08 -31.01 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . . . -140.48 -170.85 3.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.726 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' HA3' ' A' ' 96' ' ' GLY . 35.1 mt -91.15 7.18 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.333 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -178.9 -155.86 15.76 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.053 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.72 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 18' ' ' ALA . 19.3 mp0 -55.87 -39.88 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.18 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.08 -43.15 93.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.0 m -67.91 -33.07 73.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.976 0.417 . . . . 0.0 110.476 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.09 -23.89 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.4 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -70.83 -20.91 62.51 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 110.483 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.23 8.25 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.85 44.3 96.07 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.443 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 m -113.85 145.5 33.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.93 167.69 26.66 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.916 2.41 . . . . 0.0 112.827 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -134.78 166.58 22.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.83 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' CD2' ' A' ' 33' ' ' HIS . 43.1 t -90.55 -64.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.5 m-70 -142.62 163.78 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 94.4 mt -120.68 139.52 52.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.482 . . . . 0.0 112.086 -171.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' HD13 ' A' ' 66' ' ' ILE . 99.2 mtt180 -124.4 120.48 32.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.534 175.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.5 tt -110.94 137.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.96 148.15 52.25 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.604 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.2 mmm180 -87.66 23.65 1.91 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.221 0.534 . . . . 0.0 109.672 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -129.17 -73.07 0.58 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.407 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -85.1 -16.84 39.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.713 0.292 . . . . 0.0 111.436 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' PRO . . . 77.08 13.58 83.51 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.34 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -90.07 142.01 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 44' ' ' GLY . 3.6 t -97.44 166.37 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.457 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -170.99 147.81 10.73 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.606 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 4.8 p -72.93 145.51 46.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.864 0.332 . . . . 0.0 110.217 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 8.6 p -64.39 169.98 4.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.718 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.4 p-10 -71.82 -16.68 62.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.447 . . . . 0.0 110.06 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 34.0 t70 -65.67 -26.43 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.709 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -84.49 140.91 38.76 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.217 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.81 -19.84 69.65 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.603 2.202 . . . . 0.0 112.89 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.666 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.2 t60 -75.59 -35.85 60.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 98.1 mttt 49.81 58.88 4.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.46 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -77.36 -36.85 53.26 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.837 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.96 86.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.73 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 17.7 p -75.31 -46.94 30.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.543 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.75 -38.28 90.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -63.54 -41.83 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.487 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -56.62 -48.1 78.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.783 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.6 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.22 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -107.37 -30.35 8.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.63 45.73 5.68 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.986 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -116.06 93.3 38.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 89.5 Cg_endo -78.66 -18.1 12.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.905 2.403 . . . . 0.0 114.352 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 11' ' ' ILE . 51.3 mt -106.87 121.77 60.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.367 0.603 . . . . 0.0 111.571 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.19 155.59 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.711 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -121.59 145.41 48.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.716 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.67 107.39 2.17 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.29 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.614 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.6 t80 -92.51 -44.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.732 -176.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 1.4 t70 -60.86 -47.8 94.64 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 43.4 Cg_endo -98.87 91.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.628 2.219 . . . . 0.0 111.08 165.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 54.63 3.62 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.994 2.462 . . . . 0.0 112.923 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.8 mt-10 -69.44 -36.91 77.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 58.1 0.86 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.27 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 55.8 p-90 -137.97 155.71 48.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 110.41 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.41 126.63 6.15 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.713 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 41.1 t-105 -103.87 129.47 51.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.6 t -108.26 105.39 15.08 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -50.83 -50.15 57.18 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.9 m -67.78 -21.78 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.8 m-20 -98.76 -32.63 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.542 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 69.82 18.95 7.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.565 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.7 m -100.8 140.04 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.624 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.508 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 37.9 ttp -112.48 108.88 18.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.903 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 44.3 p90 -108.84 179.94 4.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.3 p-10 -94.74 139.84 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.397 0.617 . . . . 0.0 112.244 -173.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.7 mt -137.77 41.77 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.611 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 t -63.22 -35.98 82.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.251 -170.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.31 -10.21 21.52 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.082 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.25 -2.83 26.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.463 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.0 ptp -49.52 139.86 11.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.991 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 13.6 m -69.94 125.02 91.78 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.27 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 25.4 Cg_exo -63.54 155.99 59.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.87 2.38 . . . . 0.0 111.596 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.614 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 25.1 p-80 -81.59 130.41 35.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.163 0.506 . . . . 0.0 110.783 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -92.35 2.32 56.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.133 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . 169.04 -172.88 43.47 Favored Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.92 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -88.19 113.83 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.001 2.467 . . . . 0.0 111.957 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 30.3 mt -78.49 120.41 80.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.671 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 10.8 Cg_exo -71.19 103.4 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.871 2.38 . . . . 0.0 112.509 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -81.0 106.05 12.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.03 -43.43 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.016 -0.992 . . . . 0.0 111.424 -177.1 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.852 0.358 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -164.98 168.03 17.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.8 mmt -76.32 -15.83 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.303 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -112.57 3.49 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.932 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 8' ' ' VAL . 26.4 p -165.03 166.1 19.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -63.68 -15.79 59.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -62.11 -27.04 68.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.847 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.7 t -67.0 -29.39 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.397 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.7 50.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.708 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.41 -19.26 14.38 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.759 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 8' ' ' VAL . 41.4 pt -81.92 152.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.008 0.432 . . . . 0.0 110.881 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.46 177.64 7.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 -178.41 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -82.17 108.92 16.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.0 m -100.38 176.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.056 -170.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.5 m -99.99 126.15 37.65 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.82 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 20.2 Cg_exo -65.74 110.88 1.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.561 2.174 . . . . 0.0 111.78 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -70.67 -16.0 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.197 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.64 161.71 37.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.55 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' A' ' 96' ' ' GLY . 2.8 mm? -89.69 -42.82 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 109.876 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -133.77 -148.0 5.77 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 176.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 100.0 5.85 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -36.35 73.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.409 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.3 tt0 -63.33 -42.15 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 29' ' ' SER . 95.9 m -67.96 -35.08 77.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.943 0.401 . . . . 0.0 110.419 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.98 -16.12 63.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.989 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HG3' HG23 ' A' ' 27' ' ' ILE . 35.6 pttt -81.78 -22.43 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.711 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.567 HG23 ' HG3' ' A' ' 26' ' ' LYS . 10.0 pt -127.59 6.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 45.85 33.52 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.279 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.508 ' OG ' HG13 ' A' ' 27' ' ' ILE . 49.8 m -106.22 153.04 40.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.29 172.27 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.795 2.33 . . . . 0.0 113.099 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.9 p90 -151.14 155.83 39.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.737 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 102' ' ' VAL . 21.2 t -97.94 -57.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.352 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -131.84 164.39 26.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD13 ' HA2' ' A' ' 20' ' ' GLY . 77.3 mt -133.4 130.26 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.102 -174.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.686 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 19.1 mtm180 -126.23 125.43 42.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.085 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tt -105.8 141.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.701 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' H ' ' A' ' 39' ' ' THR . 63.7 m -65.41 142.38 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.664 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -87.55 6.63 33.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.566 0.698 . . . . 0.0 109.234 168.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.48 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -103.85 -72.28 0.71 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.218 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 p -92.84 -4.15 53.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.889 -173.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 68.94 15.43 69.28 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.846 -0.693 . . . . 0.0 113.938 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.61 136.82 32.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.248 -0.56 . . . . 0.0 109.945 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 t -93.82 139.08 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.433 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.98 142.96 14.52 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.975 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.0 p -72.65 139.99 47.68 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.686 ' SG ' ' HG3' ' A' ' 35' ' ' ARG . 77.1 m -62.43 171.84 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.677 0.751 . . . . 0.0 112.596 -173.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.2 p-10 -75.93 -4.64 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.723 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.564 ' OD1' ' HB2' ' A' ' 46' ' ' CYS . 3.1 p-10 -88.45 -8.85 54.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.562 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 26.6 m -97.33 155.7 37.06 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.788 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 49' ' ' SER . 11.3 Cg_endo -54.76 -30.3 66.49 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.507 2.805 . . . . 0.0 114.318 -173.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -88.35 -32.99 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 52.3 mtmt 53.03 36.08 21.18 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.2 0.524 . . . . 0.0 110.586 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -66.07 -27.66 68.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.561 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.9 92.58 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.2 p -75.43 -44.59 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.95 0.405 . . . . 0.0 110.395 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -58.06 -43.09 86.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.332 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -57.86 -43.93 86.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.977 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -57.81 -48.65 79.11 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.183 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.91 -26.5 66.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.727 0.299 . . . . 0.0 111.277 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.21 6.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.72 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -84.42 -30.28 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.53 45.47 6.86 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.997 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -114.64 93.96 35.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 72.5 Cg_endo -77.58 -18.9 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.704 2.27 . . . . 0.0 113.907 -171.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 11' ' ' ILE . 45.0 mt -105.1 124.07 59.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.806 0.812 . . . . 0.0 111.872 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.449 HD12 ' NE ' ' A' ' 35' ' ' ARG . 12.2 pt -131.2 161.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 39.3 tt0 -128.02 149.39 50.39 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.05 106.23 1.59 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.901 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -41.84 14.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 110.632 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -79.96 -37.43 1.1 Allowed Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.902 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 8.3 Cg_endo -89.49 117.46 0.76 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.225 1.95 . . . . 0.0 111.821 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 8.0 Cg_exo -73.29 28.15 0.3 Allowed 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.369 2.713 . . . . 0.0 113.509 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 18.2 mm-40 -79.85 -28.63 40.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.45 70.91 1.14 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.418 ' HD1' ' HB2' ' A' ' 73' ' ' GLU . 62.6 p-90 -132.37 152.29 51.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.23 136.8 12.54 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.963 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -116.28 135.28 54.03 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 8.6 t -115.93 104.48 11.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -45.96 -52.58 11.44 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.771 0.669 . . . . 0.0 112.759 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 81' ' ' ASP . 30.3 m -70.52 -20.28 22.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 1.4 m-20 -97.95 -34.47 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 64.75 26.72 13.06 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.843 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.21 137.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.98 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.9 ttp -106.96 127.66 53.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.014 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 27.3 p90 -125.38 162.85 23.87 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.67 141.54 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.012 0.434 . . . . 0.0 110.236 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.1 mt -130.19 10.19 5.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.981 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 91' ' ' MET . 22.9 t -57.14 -23.68 49.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.63 -22.25 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.376 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.4 mtt85 -139.49 18.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.071 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.535 ' HB3' ' HA ' ' A' ' 88' ' ' SER . 24.5 ptm -64.42 147.68 52.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -166.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -100.25 101.51 14.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.741 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.41 158.66 29.28 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.395 2.063 . . . . 0.0 112.562 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -74.58 110.66 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.511 . . . . 0.0 109.967 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -80.84 -22.24 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.639 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 19' ' ' LEU . . . -107.79 160.98 13.7 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.519 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -73.97 98.3 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.082 2.522 . . . . 0.0 111.518 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 34' ' ' LEU . 61.4 mt -81.19 123.85 81.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.806 -178.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.04 116.98 3.64 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 111.573 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.96 106.15 12.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.933 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -86.38 -21.7 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 32' ' ' VAL . 5.2 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.935 ' HG3' ' HA ' ' A' ' 85' ' ' PHE . 51.0 ttp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 3' ' ' MET . 1.5 t -103.42 -62.13 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.817 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.497 ' H ' HG23 ' A' ' 2' ' ' THR . 14.5 mmt -160.91 156.18 24.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.348 0.259 . . . . 0.0 110.567 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 -159.97 33.3 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.2 p -168.31 166.26 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.527 0.663 . . . . 0.0 111.436 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.81 -31.35 38.3 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.292 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -61.37 -24.25 66.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.611 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.88 -27.46 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.994 0.426 . . . . 0.0 110.981 -177.019 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.39 -1.34 32.96 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.127 -0.358 . . . . 0.0 111.365 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.4 45.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.31 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 8' ' ' VAL . 22.9 pt -100.56 153.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 110.587 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -129.43 167.65 17.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.868 177.68 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.43 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 9.9 m -81.28 102.87 10.68 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.46 0.647 . . . . 0.0 109.749 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.68 -179.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.247 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.7 m -115.88 135.84 22.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.468 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB2' ' HB2' ' A' ' 95' ' ' ASN . 37.1 Cg_exo -60.71 120.94 8.95 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.184 . . . . 0.0 112.481 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.8 t -74.28 -26.08 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.32 15.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.41 -46.28 8.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.328 0.585 . . . . 0.0 109.623 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.05 -164.49 25.78 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.527 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 53.0 t -63.61 118.94 8.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.2 -18.43 58.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.389 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.8 tt0 -91.36 -55.94 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 176.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 68.9 m -57.74 -29.24 64.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -174.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 79.9 mt -60.43 -24.4 65.15 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.0 ptmt -70.34 -29.54 66.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.614 0.245 . . . . 0.0 111.292 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 26' ' ' LYS . 24.6 pt -113.45 -9.8 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.75 0.31 . . . . 0.0 111.357 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.25 39.31 52.48 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.232 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -88.51 145.97 36.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.586 0.231 . . . . 0.0 110.676 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.23 159.05 54.89 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.771 2.314 . . . . 0.0 112.744 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -143.44 161.08 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.041 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.46 -50.06 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.561 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -141.14 157.96 44.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 94.9 mt -127.64 137.2 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 -176.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -135.45 132.31 37.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.035 0.445 . . . . 0.0 110.414 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 HG21 ' A' ' 92' ' ' THR . 15.1 tt -96.51 131.25 43.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.797 0.808 . . . . 0.0 109.831 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.2 t -75.24 112.8 11.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.635 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.17 5.92 1.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -106.19 -37.77 6.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.648 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -134.18 4.82 3.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.859 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.55 11.9 80.29 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.918 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -84.11 130.0 34.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.89 126.99 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.694 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.69 156.98 22.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.993 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.98 149.18 32.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.682 0.277 . . . . 0.0 110.293 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.97 155.94 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.051 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 9.2 p-10 -63.07 -18.89 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.729 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -39.62 86.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.291 0.567 . . . . 0.0 110.195 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -74.71 142.2 76.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.757 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.57 -30.53 21.89 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.938 3.092 . . . . 0.0 114.085 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -64.92 -42.42 94.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.357 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 61.6 mttm 51.45 37.05 18.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.2 -16.94 63.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.58 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.94 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.658 0.266 . . . . 0.0 110.837 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -69.12 -39.48 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.57 -43.6 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.618 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -59.72 -37.38 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.749 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -71.41 -30.98 66.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.51 -46.48 39.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.313 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.3 p -101.54 -21.53 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.7 44.7 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.723 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -117.89 98.46 51.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.52 -4.54 12.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.2 2.6 . . . . 0.0 115.034 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 11' ' ' ILE . 42.3 mt -126.79 129.72 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.616 0.722 . . . . 0.0 111.991 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.515 HD13 ' OH ' ' A' ' 79' ' ' TYR . 22.9 pt -127.85 173.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.613 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' HH11 ' A' ' 38' ' ' ARG . 35.2 tt0 -134.08 143.26 47.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.289 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.88 105.83 1.3 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -93.43 -38.71 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.568 0.223 . . . . 0.0 111.164 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.6 p-10 -72.06 -37.4 4.88 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 96.7 Cg_endo -87.41 130.41 2.83 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.207 1.271 . . . . 0.0 112.133 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.99 42.84 0.54 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.26 2.64 . . . . 0.0 112.664 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.21 -59.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.38 77.93 1.38 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.054 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -143.18 155.44 44.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 110.677 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.81 146.65 18.82 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.269 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -120.12 130.28 54.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.8 t -109.01 114.84 28.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.515 ' OH ' HD13 ' A' ' 66' ' ' ILE . 88.5 m-85 -54.64 -64.46 0.82 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.19 -21.79 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -86.29 -36.4 19.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.436 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.77 22.63 10.27 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.536 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.4 m -109.04 139.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.602 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.6 ttm -107.16 132.97 52.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.023 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.935 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 25.8 p90 -132.09 153.86 50.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.168 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.92 136.09 37.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.35 . . . . 0.0 110.702 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.19 16.53 6.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.639 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -61.33 -25.69 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.57 -171.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.17 -22.52 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.295 0.569 . . . . 0.0 110.988 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -139.25 32.81 2.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.578 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 111.867 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 36' ' ' ILE . 4.0 m -91.45 120.93 68.13 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.083 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 17.0 Cg_exo -67.17 162.73 37.1 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.668 2.245 . . . . 0.0 111.815 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -76.63 148.8 36.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.56 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 65.4 t30 -92.88 9.67 34.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.572 . . . . 0.0 110.503 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.76 -175.42 23.02 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.796 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.95 117.65 4.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.857 2.371 . . . . 0.0 111.895 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.87 129.87 34.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.2 107.54 1.38 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.59 2.193 . . . . 0.0 112.347 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -89.97 135.67 33.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.969 177.159 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -107.57 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.55 -177.714 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.714 0.292 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.486 HG21 ' HB ' ' A' ' 83' ' ' VAL . 14.4 t -128.14 -173.9 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.81 133.18 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.059 0.457 . . . . 0.0 111.479 -175.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 137.71 36.89 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.4 p -95.94 165.62 12.18 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -55.36 -25.46 35.24 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.537 ' HB3' HD11 ' A' ' 65' ' ' ILE . 36.1 m80 -60.25 -25.77 65.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.34 -27.58 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.406 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.26 0.21 22.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.2 0.18 29.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.691 HG12 ' O ' ' A' ' 8' ' ' VAL . 17.1 pt -97.1 152.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.792 0.296 . . . . 0.0 110.572 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -129.77 167.77 17.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.955 0.407 . . . . 0.0 110.985 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 33.1 m -70.21 115.93 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.772 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.74 165.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.7 m -103.39 123.33 41.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.647 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.518 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 9.0 Cg_exo -70.7 100.99 0.98 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.824 2.349 . . . . 0.0 111.575 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -71.8 -15.1 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.125 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.51 165.05 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.595 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.13 -58.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -94.64 -165.55 36.0 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.312 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 48.3 t -72.7 102.73 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -40.25 64.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.128 -174.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 28.2 tt0 -73.98 -36.2 64.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.824 0.345 . . . . 0.0 110.749 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -68.39 -29.7 68.45 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.26 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.2 mt -67.43 -26.3 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.669 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -76.36 -15.76 59.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.115 0.483 . . . . 0.0 110.248 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -116.48 6.57 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.21 49.48 70.78 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.487 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -123.07 149.52 57.24 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.559 0.218 . . . . 0.0 110.868 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 -160.89 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.961 2.441 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -156.51 163.8 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' HG21 ' A' ' 102' ' ' VAL . 49.5 t -91.4 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 89.1 m-70 -135.37 150.73 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.787 0.327 . . . . 0.0 110.126 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 98' ' ' ILE . 95.1 mt -112.82 142.99 44.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.273 -175.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.707 ' HD3' ' O ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -134.74 137.75 43.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.594 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HB ' ' HD2' ' A' ' 69' ' ' TYR . 17.3 tt -97.35 156.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -112.58 109.23 18.65 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 12.4 mmm180 -69.1 8.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -107.31 -27.83 10.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.436 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.4 p -142.24 -3.6 1.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.441 -0.504 . . . . 0.0 112.0 -173.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.94 79.1 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.624 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -94.36 134.29 37.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 44' ' ' GLY . 3.0 t -91.71 -177.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.638 ' H ' HG12 ' A' ' 43' ' ' VAL . . . 169.5 155.69 10.18 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 173.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 p -78.16 139.66 38.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.6 p -64.0 172.06 2.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.7 p-10 -76.83 -1.42 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.52 -21.01 61.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 t -87.18 141.58 32.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.927 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.93 -12.62 23.18 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.747 2.298 . . . . 0.0 112.956 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -83.87 -37.14 22.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 85.7 mttt 48.61 55.12 9.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.45 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -78.3 -18.13 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.352 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -47.79 67.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -71.71 -42.33 67.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -60.28 -35.11 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.763 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -64.37 -45.58 87.1 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.593 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -62.06 -44.74 96.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.204 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -64.01 -29.32 70.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.39 -53.81 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.4 p -90.04 -31.64 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.43 48.05 5.78 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.716 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.9 m170 -114.64 95.2 39.71 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 89.5 Cg_endo -81.16 5.16 6.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.213 2.609 . . . . 0.0 114.878 -169.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 7' ' ' HIS . 37.2 mt -126.24 130.0 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.418 0.628 . . . . 0.0 111.698 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' A' ' 77' ' ' TRP . 41.1 pt -129.26 172.16 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.961 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 44.2 tt0 -138.0 148.22 44.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.921 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.54 102.99 0.88 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.671 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' HD2' ' HB ' ' A' ' 36' ' ' ILE . 29.9 t80 -87.64 -43.49 11.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.706 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 9.8 t70 -77.06 -53.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.362 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 3.2 Cg_exo -81.69 107.03 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.975 1.783 . . . . 0.0 111.099 176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.0 Cg_exo -78.89 37.33 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.461 2.774 . . . . 0.0 112.506 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 33.9 mt-10 -84.15 -11.96 55.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.058 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 71.35 76.37 0.58 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.999 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.585 ' HE1' ' HB2' ' A' ' 71' ' ' PRO . 55.2 p-90 -142.06 148.89 39.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.39 132.91 9.8 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.445 ' HB3' HG13 ' A' ' 66' ' ' ILE . 75.8 t-105 -108.83 125.46 51.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.1 t -105.22 105.75 15.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 69.7 m-85 -51.09 -55.44 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.583 HG23 ' OD1' ' A' ' 81' ' ' ASP . 23.7 m -66.26 -19.77 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.328 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.583 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.3 m-20 -97.34 -34.78 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.864 0.364 . . . . 0.0 110.502 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 66.14 32.05 8.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.64 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.486 ' HB ' HG21 ' A' ' 2' ' ' THR . 34.5 m -118.35 140.73 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.703 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttp -107.35 115.31 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.129 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -109.01 168.66 9.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' A' ' 1' ' ' MET . 11.9 t70 -83.12 132.3 35.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.641 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.8 mt -135.66 18.67 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.594 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.588 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 24.6 t -52.83 -41.63 64.39 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.22 -14.32 55.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -127.97 14.14 6.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.434 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 ptm -74.52 163.04 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.987 0.423 . . . . 0.0 110.885 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 m -85.64 124.05 71.75 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.99 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 131.76 22.69 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 111.776 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -75.41 128.44 35.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.911 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -93.29 17.01 11.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 111.035 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.53 160.18 32.75 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.675 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.97 155.01 26.15 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.752 2.302 . . . . 0.0 112.481 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.539 HD13 HD12 ' A' ' 34' ' ' LEU . 78.8 mt -118.32 123.75 29.11 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.48 131.63 45.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.684 2.256 . . . . 0.0 111.783 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.571 HH21 HG23 ' A' ' 102' ' ' VAL . 2.7 tpt180 -85.81 104.2 15.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.954 -175.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -102.59 -9.99 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.05 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.571 HG23 HH21 ' A' ' 100' ' ' ARG . 3.9 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.788 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -160.42 -176.52 5.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.1 mtt -82.25 -41.76 19.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.544 0.211 . . . . 0.0 110.83 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.36 -132.47 3.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.179 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.9 p -163.71 175.14 10.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.35 -29.29 67.56 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.733 0.242 . . . . 0.0 111.585 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 36.5 m80 -60.87 -25.93 67.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.82 0.343 . . . . 0.0 111.234 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.45 -27.08 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -175.166 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.7 2.34 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.818 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.78 11.55 10.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.594 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.725 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.2 pt -100.36 151.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.92 172.74 12.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.134 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -86.29 98.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.86 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.209 -169.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.5 m -107.89 126.48 29.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.014 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.6 Cg_exo -59.55 135.29 63.54 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.847 2.365 . . . . 0.0 112.566 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 23.5 m -72.01 -31.89 66.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.96 171.84 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.682 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.27 -44.45 19.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.125 0.488 . . . . 0.0 109.951 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.55 -144.12 7.89 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.725 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 34' ' ' LEU . 60.4 m -75.18 108.93 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.77 -0.253 . . . . 0.0 111.061 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.18 -31.35 5.61 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.956 0.785 . . . . 0.0 111.496 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.08 -63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.0 m -56.02 -29.76 60.84 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 77.6 mt -64.66 -16.19 62.45 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' ILE . 11.6 ptmt -68.43 -24.8 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 110.534 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HG3' ' A' ' 26' ' ' LYS . 7.8 pt -127.73 5.26 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.354 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.21 27.61 73.66 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.853 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -88.99 157.17 48.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.697 0.284 . . . . 0.0 111.453 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 101' ' ' TYR . 16.3 Cg_exo -69.62 174.96 8.62 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.245 2.63 . . . . 0.0 113.106 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.7 p90 -150.54 160.68 43.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.259 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.59 -56.76 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -135.46 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.124 0.488 . . . . 0.0 111.296 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 21' ' ' CYS . 76.9 mt -112.75 131.94 55.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.742 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.596 ' HD3' ' HB1' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -141.65 134.33 28.54 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.474 0.654 . . . . 0.0 111.435 177.153 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 43' ' ' VAL . 7.4 tt -119.53 141.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.105 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 m -72.93 143.82 47.55 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.481 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -82.95 36.8 0.51 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.055 0.455 . . . . 0.0 109.9 171.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -140.59 -62.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.63 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 14.7 p -102.08 -13.62 17.43 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.729 0.299 . . . . 0.0 111.688 -174.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.36 -1.63 88.41 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.565 -0.826 . . . . 0.0 114.105 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.473 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 12.4 m-70 -75.97 119.45 19.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 117.537 0.668 . . . . 0.0 111.182 -177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 36' ' ' ILE . 45.0 t -87.96 122.23 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.817 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.23 160.57 19.82 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.066 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.7 p -72.76 128.78 36.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.91 160.88 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.54 -4.63 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.471 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -64.1 -36.49 84.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 109.97 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -86.7 146.03 40.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.71 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.25 -27.5 80.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.399 2.733 . . . . 0.0 113.779 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 40.6 m-70 -62.5 -42.53 99.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.185 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt 50.66 36.31 13.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.064 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.2 -18.49 48.71 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.355 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB1' ' HD3' ' A' ' 35' ' ' ARG . . . -66.36 -48.58 69.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.696 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.8 p -78.63 -39.53 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -61.19 -37.45 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.93 -38.98 72.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.709 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -63.69 -39.46 94.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.9 0.381 . . . . 0.0 110.331 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -61.12 -32.56 72.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.798 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.23 -47.67 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -174.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -96.62 -14.36 22.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.92 47.89 77.61 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.522 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -110.51 92.33 13.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 93.5 Cg_endo -80.27 -22.23 7.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.963 2.442 . . . . 0.0 113.946 -171.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.8 mt -97.87 121.81 48.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.548 0.69 . . . . 0.0 111.441 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 38.0 pt -126.82 144.67 36.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.324 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.61 144.87 35.76 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA3' ' CZ2' ' A' ' 75' ' ' TRP . . . -68.27 110.09 3.24 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.741 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -92.2 -27.42 17.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.498 0.189 . . . . 0.0 111.211 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.623 ' CG ' ' HD3' ' A' ' 71' ' ' PRO . 5.5 p-10 -84.19 -38.36 0.67 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.439 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' CG ' ' A' ' 70' ' ' ASP . 58.4 Cg_endo -104.04 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.866 2.377 . . . . 0.0 111.29 170.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 5.0 Cg_exo -75.93 78.79 3.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -111.05 -0.46 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.229 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 73.3 73.08 0.91 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.077 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.474 ' CZ2' ' HA3' ' A' ' 68' ' ' GLY . 52.3 p-90 -142.63 142.31 32.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.849 0.357 . . . . 0.0 110.254 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.37 129.19 8.2 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.365 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -106.62 137.34 44.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.2 t -118.06 111.2 18.6 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 34.4 m-85 -46.67 -66.41 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -172.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.6 m -67.22 -21.12 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -84.16 -36.94 22.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 0.0 110.187 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 67.97 23.85 8.12 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.536 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 m -112.06 150.46 14.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.496 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 57.1 ttp -119.85 120.4 36.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.705 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -115.33 168.1 10.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.73 136.45 33.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.181 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.8 mt -134.35 25.77 3.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.023 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.55 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.4 p -56.54 -39.31 73.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 -10.23 59.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 110.81 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -125.29 14.79 8.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.234 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.1 ptp -61.93 154.3 26.71 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 m -98.48 108.04 45.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.402 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.54 131.17 18.3 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.389 2.059 . . . . 0.0 111.734 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -61.81 138.71 58.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.981 -177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.68 -56.5 13.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.768 -174.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.05 -174.4 13.5 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.811 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.29 119.24 6.24 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.906 2.404 . . . . 0.0 111.93 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 34' ' ' LEU . 57.2 mt -97.74 123.03 53.26 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.831 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 17.0 Cg_exo -66.92 104.35 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.733 2.288 . . . . 0.0 111.833 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -88.48 117.67 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 30' ' ' PRO . 79.1 m-85 -92.54 -59.54 2.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.779 -174.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.879 -175.418 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.697 ' HG3' ' H ' ' A' ' 2' ' ' THR . 37.7 tpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.697 ' H ' ' HG3' ' A' ' 1' ' ' MET . 2.8 t -76.32 68.28 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -175.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 mmt 54.69 -91.49 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.868 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.83 -135.92 4.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.782 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 8' ' ' VAL . 31.5 p -157.38 176.7 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -64.87 -24.54 67.57 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.58 -25.4 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.542 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 12.7 t -63.72 -30.48 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.202 0.525 . . . . 0.0 109.99 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.02 -17.49 59.65 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.38 37.35 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.225 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 65' ' ' ILE . 47.8 pt -91.21 153.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.474 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 172.03 12.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.487 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.648 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 39.3 m -73.84 96.66 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.653 0.739 . . . . 0.0 111.088 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.2 m -84.83 161.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.205 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.4 m -96.11 128.57 36.59 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.943 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.64 107.8 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.725 2.284 . . . . 0.0 112.027 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -83.47 11.78 6.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.445 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -163.19 149.95 12.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.396 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' HA3' ' A' ' 96' ' ' GLY . 10.8 mp -80.68 -48.05 13.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.252 0.548 . . . . 0.0 109.925 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.58 -147.02 7.03 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 72.4 m -75.68 104.06 6.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.004 0.402 . . . . 0.0 110.043 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.24 -38.03 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 0.0 110.38 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.1 tp10 -60.39 -60.71 3.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.734 178.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.633 ' HB3' ' O ' ' A' ' 29' ' ' SER . 73.2 m -52.55 -40.24 62.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.773 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.11 -15.78 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.8 ptmt -83.51 -18.8 37.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.258 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.4 pt -118.49 -5.41 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.757 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.13 42.23 24.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.32 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.633 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 66.1 m -118.69 156.36 51.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.474 0.178 . . . . 0.0 110.996 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.3 179.58 5.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.703 2.268 . . . . 0.0 112.824 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -146.87 164.97 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.315 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 33' ' ' HIS . 48.4 t -90.44 -66.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.283 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 32' ' ' VAL . 88.2 m-70 -131.91 153.87 49.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.47 . . . . 0.0 111.16 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 98' ' ' ILE . 97.5 mt -101.51 131.01 47.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.48 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 35' ' ' ARG . 7.7 mmm180 -120.83 109.43 15.13 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 67' ' ' GLU . 14.0 tt -95.97 121.94 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 122.175 0.988 . . . . 0.0 109.869 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.98 116.29 14.43 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.708 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.648 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 8.7 mmm180 -72.42 1.98 7.01 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -173.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -98.88 -61.1 1.41 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.846 0.355 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 p -102.75 1.86 34.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 73.29 14.43 79.22 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.154 -0.546 . . . . 0.0 114.404 173.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -94.18 133.82 37.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.867 0.833 . . . . 0.0 110.681 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 21.5 t -90.86 132.37 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.98 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 171.55 22.45 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.925 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.515 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 6.7 p -83.12 137.12 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.804 0.335 . . . . 0.0 110.814 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.53 172.68 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.897 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.0 p-10 -75.81 -8.56 57.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.04 -42.56 85.65 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.866 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.9 m -83.1 134.78 45.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.72 -15.98 23.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.219 2.613 . . . . 0.0 113.501 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.68 -39.2 93.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.222 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 47.8 mtmt 46.87 51.4 12.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.519 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -76.0 -20.57 57.74 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.018 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.42 -44.67 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -74.24 -43.6 56.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -59.87 -29.24 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -65.56 -41.89 92.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -62.93 -38.21 90.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.478 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -67.43 -26.47 66.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.279 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.75 -50.1 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.3 p -94.73 -26.51 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.36 39.78 21.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.98 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -107.65 102.51 45.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 77.5 Cg_endo -83.99 0.82 9.12 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.957 2.438 . . . . 0.0 115.666 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 11' ' ' ILE . 36.5 mt -126.69 126.98 69.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 118.885 0.766 . . . . 0.0 112.421 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 HD12 ' HE ' ' A' ' 35' ' ' ARG . 38.5 pt -129.74 138.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.163 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 36' ' ' ILE . 33.8 tt0 -103.86 148.48 26.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 108.56 2.54 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 14.3 t80 -93.03 -27.79 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -172.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 6.9 p-10 -78.48 -37.26 1.36 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.819 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 9.8 Cg_endo -89.9 118.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 121.842 1.695 . . . . 0.0 111.227 173.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.7 Cg_exo -71.21 35.8 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.219 2.613 . . . . 0.0 112.947 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 33.3 mt-10 -86.62 -38.66 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.299 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 84.8 0.76 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.18 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 51.3 p-90 -150.82 140.1 21.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 110.68 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.35 135.61 12.79 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.432 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.4 ' HE3' ' HB2' ' A' ' 84' ' ' MET . 56.6 t-105 -102.67 135.93 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 3.4 t -113.51 113.51 25.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 63.0 m-85 -53.49 -67.13 0.28 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.8 m -61.88 -19.99 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -89.57 -36.67 15.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.88 0.371 . . . . 0.0 110.164 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.67 24.88 8.31 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.749 -176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 81' ' ' ASP . 35.9 m -117.95 141.37 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.531 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 77' ' ' TRP . 54.3 ttp -100.03 138.03 37.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.098 174.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 51.1 p90 -131.81 145.29 51.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.47 137.38 55.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -140.46 23.78 2.31 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.636 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 t -61.75 -33.78 74.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.734 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.31 -19.16 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.16 16.63 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.685 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.15 165.31 18.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.129 0.49 . . . . 0.0 111.557 -172.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 HD13 ' A' ' 36' ' ' ILE . 40.6 p -84.14 134.24 43.86 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.035 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.8 116.13 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.357 2.038 . . . . 0.0 111.924 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 1.2 p-80 -61.46 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 110.232 177.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -87.95 2.08 52.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.949 -166.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.517 ' HA3' ' HG ' ' A' ' 19' ' ' LEU . . . -157.18 175.04 34.72 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.932 -1.127 . . . . 0.0 112.817 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.19 127.17 10.34 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.965 2.444 . . . . 0.0 111.898 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 34' ' ' LEU . 63.5 mt -117.36 112.91 39.14 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.615 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 12.5 Cg_exo -70.08 123.9 10.44 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.936 2.424 . . . . 0.0 112.837 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.589 ' HD2' ' OXT' ' A' ' 102' ' ' VAL . 6.9 tpp180 -70.66 104.56 2.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.332 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.41 -36.14 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.589 ' OXT' ' HD2' ' A' ' 100' ' ' ARG . 6.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 84' ' ' MET . 13.2 tpt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 ' H ' ' HA ' ' A' ' 85' ' ' PHE . 74.9 p -113.1 172.72 6.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.6 ttp -71.19 -39.7 71.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.971 0.415 . . . . 0.0 110.149 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.03 -152.53 20.8 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.617 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 p -155.06 171.92 18.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 6' ' ' ARG . 11.7 ptt180 -60.37 -25.49 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -65.96 -26.71 67.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.604 0.24 . . . . 0.0 111.45 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 17.3 t -65.15 -29.24 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.482 0.658 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -13.04 62.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.17 -13.5 33.37 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.246 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.518 HD13 HG21 ' A' ' 65' ' ' ILE . 44.1 pt -86.28 152.11 3.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 117.23 0.515 . . . . 0.0 110.581 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -123.87 176.9 6.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.094 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -76.77 101.48 5.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 18.1 m -99.49 144.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.173 0.511 . . . . 0.0 111.84 -170.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -85.6 128.1 60.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.271 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.13 132.11 35.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.64 2.227 . . . . 0.0 112.417 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.3 m -60.23 -47.36 86.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.2 178.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.987 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.69 -59.21 5.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.271 0.557 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.71 -149.05 15.98 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.457 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 48.6 t -75.17 117.81 17.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -38.15 -70.36 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.473 1.108 . . . . 0.0 113.359 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.654 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 34.4 tt0 -68.8 -31.17 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 87.9 m -62.59 -32.71 73.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.061 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.703 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 32.6 pttt -67.35 -23.62 65.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.18 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 26' ' ' LYS . 22.6 pt -128.96 4.26 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.08 45.71 93.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.707 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t -79.53 113.85 40.55 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 31.0 Cg_exo -61.96 121.25 9.23 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.092 2.528 . . . . 0.0 112.755 -176.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -109.85 157.42 19.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.433 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.84 -58.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -136.06 150.99 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.579 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 95.7 mt -109.49 132.12 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.19 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' CD ' HD12 ' A' ' 66' ' ' ILE . 85.1 mtt180 -129.65 126.19 37.81 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.301 0.572 . . . . 0.0 109.948 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.452 HD13 HG21 ' A' ' 92' ' ' THR . 13.0 tt -96.32 124.83 49.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.913 0.863 . . . . 0.0 110.333 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.15 107.02 2.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.581 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 14' ' ' VAL . 10.2 mmm180 -70.99 6.39 1.58 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.6 -28.48 12.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.774 0.321 . . . . 0.0 111.511 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 19.6 p -142.84 -0.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.808 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 80.26 13.96 81.07 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.569 175.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 1.7 t60 -83.56 116.78 22.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.379 0.59 . . . . 0.0 109.913 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -86.83 124.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' HA2' ' SG ' ' A' ' 21' ' ' CYS . . . -141.85 154.25 24.72 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.252 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -73.43 140.98 46.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 48' ' ' ASP . 18.1 p -71.7 -179.65 2.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.742 0.306 . . . . 0.0 111.099 -177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 12.1 p-10 -75.73 -7.63 54.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.824 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 6.5 m-20 -64.49 -26.54 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -95.27 139.18 21.91 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.65 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.05 -29.72 66.59 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.334 2.69 . . . . 0.0 113.626 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -72.96 -25.19 60.92 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.809 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 54.1 mtmt 40.56 63.04 1.21 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.801 0.841 . . . . 0.0 113.102 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 5.8 m170 -76.98 -40.2 47.69 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.92 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p -75.04 -48.28 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.624 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.75 -27.91 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.418 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -68.13 -44.83 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -60.1 -42.82 95.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 0.0 110.212 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -61.26 -27.08 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.228 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.72 -48.94 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 p -93.35 -20.64 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.12 40.0 57.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.76 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -107.49 100.4 33.89 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 87.1 Cg_endo -85.8 6.7 5.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.024 2.483 . . . . 0.0 115.405 -166.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.518 HG21 HD13 ' A' ' 11' ' ' ILE . 24.7 mt -128.15 128.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.472 0.653 . . . . 0.0 112.259 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' CD ' ' A' ' 35' ' ' ARG . 30.8 pt -132.99 150.48 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.194 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.7 tt0 -116.36 144.58 44.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.462 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.57 107.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.257 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -93.08 -44.33 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.659 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.01 -36.65 11.53 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.09 -177.137 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 13.8 Cg_endo -93.26 123.79 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.19 1.927 . . . . 0.0 111.643 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 9.0 Cg_exo -72.74 44.3 0.75 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.238 2.626 . . . . 0.0 112.709 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.57 -52.47 5.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.966 0.412 . . . . 0.0 110.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.34 74.65 1.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.132 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -145.75 148.96 33.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.766 0.317 . . . . 0.0 110.689 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.03 139.67 14.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.103 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.411 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 65.4 t-105 -111.98 135.03 53.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.8 t -112.01 110.95 21.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 56.2 m-85 -51.07 -59.8 3.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -173.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.427 HG23 ' OD1' ' A' ' 81' ' ' ASP . 18.4 m -68.72 -20.49 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -89.22 -37.13 15.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 0.0 110.134 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.87 32.67 10.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.287 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -120.94 148.29 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.17 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.419 ' O ' ' HB3' ' A' ' 1' ' ' MET . 47.4 ttm -110.59 129.13 55.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.711 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 37.1 p90 -119.98 169.63 10.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.691 0.281 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.63 135.43 33.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.436 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -135.98 27.03 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 p -59.21 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.78 -1.5 52.75 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -132.02 18.91 4.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.845 0.355 . . . . 0.0 110.395 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.596 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.7 ptm -72.83 148.81 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.638 -173.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.3 m -70.61 118.57 65.98 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.305 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.7 Cg_exo -66.44 138.42 50.37 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.738 2.292 . . . . 0.0 112.524 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -61.99 135.77 57.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.225 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.58 13.92 33.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.462 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.11 30.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.48 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.68 123.88 9.35 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.211 2.608 . . . . 0.0 112.101 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.08 129.07 36.59 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.565 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.85 112.19 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.609 2.206 . . . . 0.0 111.482 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HD3' ' OXT' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -102.23 127.32 49.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -97.33 -47.61 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.383 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.435 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 9.7 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.571 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.843 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 85' ' ' PHE . 13.3 t -105.4 166.97 10.05 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt -65.6 -40.88 93.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.542 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 85' ' ' PHE . . . 152.8 -148.27 18.91 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.31 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.0 p -160.89 162.96 32.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -58.27 -23.11 55.15 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -61.72 -24.72 66.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -60.62 -28.07 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -178.228 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.84 -3.43 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.57 -5.47 48.41 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.438 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 8' ' ' VAL . 42.2 pt -101.74 153.77 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.528 . . . . 0.0 110.953 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 163.48 23.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.848 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -71.13 99.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.91 160.51 2.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.934 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -101.73 124.15 41.55 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.153 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.62 120.26 7.94 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.957 2.438 . . . . 0.0 112.495 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 t -87.66 -14.38 40.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.99 46.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.219 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.97 -58.01 2.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.97 -151.01 24.78 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.452 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.0 t -77.06 108.82 10.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.68 -0.306 . . . . 0.0 110.217 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.9 -37.49 19.89 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.894 0.746 . . . . 0.0 111.475 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.4 tp10 -74.65 -49.26 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' SER . 97.7 m -65.53 -30.57 71.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.726 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 88.4 mt -66.16 -19.35 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.1 ptmt -73.78 -21.11 60.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 0.0 110.989 -177.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -127.2 -3.26 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.602 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.45 34.23 36.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.992 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 34.4 t -85.7 145.0 40.66 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 6.7 Cg_exo -74.37 172.83 15.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.573 2.182 . . . . 0.0 112.042 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -150.09 158.17 43.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.72 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG12 ' CD2' ' A' ' 33' ' ' HIS . 22.8 t -91.07 -64.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 110.328 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 95.7 m-70 -131.23 159.0 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.4 mt -111.81 142.73 43.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD2' HD12 ' A' ' 66' ' ' ILE . 23.2 mmt180 -122.38 119.4 30.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.728 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 67' ' ' GLU . 12.4 tt -97.09 121.31 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.893 0.854 . . . . 0.0 109.732 175.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.66 115.68 18.51 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.214 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.649 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 8.9 mmm180 -73.66 7.17 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -173.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -106.23 -23.73 12.5 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.689 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.85 -6.54 0.86 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.115 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.09 82.07 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.92 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 138.08 31.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.592 0.696 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.4 t -108.02 137.57 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.652 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.66 169.7 25.93 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.6 p -73.25 147.86 44.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 25.0 p -68.99 -173.26 0.47 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 111.119 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.7 p-10 -82.3 2.83 30.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.141 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -79.17 -35.41 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.242 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -82.29 145.99 53.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.252 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.65 -36.54 32.62 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.745 2.963 . . . . 0.0 113.778 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -66.27 -42.93 87.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 91.0 mttt 51.68 40.13 26.72 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.203 -177.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -64.41 -23.3 67.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.666 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' HIS . . . -73.59 -42.11 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -74.17 -40.59 62.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.918 0.39 . . . . 0.0 110.528 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 52.5 mtp180 -66.06 -25.41 67.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' ALA . 69.2 t60 -61.78 -41.67 98.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.614 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.98 -36.58 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.291 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.48 -27.34 66.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.707 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.77 -58.29 2.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.93 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -84.04 -27.92 28.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.54 39.57 14.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.853 -175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -110.52 102.31 51.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 79.3 Cg_endo -86.33 2.52 7.28 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.089 2.526 . . . . 0.0 115.586 -167.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG21 HD13 ' A' ' 11' ' ' ILE . 57.7 mt -128.17 130.52 69.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.338 0.59 . . . . 0.0 112.33 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' HD2' ' A' ' 35' ' ' ARG . 34.5 pt -136.17 154.61 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.656 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.649 ' OE1' ' HD3' ' A' ' 38' ' ' ARG . 31.1 mt-10 -107.89 166.71 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.172 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.26 101.04 2.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 20.8 t80 -81.73 -22.2 37.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.057 0.456 . . . . 0.0 110.138 -177.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 3.6 t70 -76.63 -54.28 1.79 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.787 175.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 98.5 Cg_endo -95.42 101.81 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.118 1.879 . . . . 0.0 112.078 172.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 7.3 Cg_exo -74.22 50.24 2.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.491 2.794 . . . . 0.0 112.414 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.43 -23.78 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.4 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.82 76.26 1.31 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.481 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -151.96 145.19 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.71 133.8 10.92 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.228 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -107.77 131.71 54.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.2 t -112.31 114.18 26.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 66.8 m-85 -53.11 -59.03 5.05 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -172.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' OD1' ' A' ' 81' ' ' ASP . 13.4 m -69.05 -27.89 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -80.5 -38.4 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.993 0.425 . . . . 0.0 110.302 -179.232 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 63.46 31.66 14.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.758 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 81' ' ' ASP . 22.5 m -114.88 152.38 16.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.719 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 48.1 ttm -116.55 113.12 22.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' HB3' HG23 ' A' ' 2' ' ' THR . 24.6 p90 -105.75 151.15 24.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.714 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.843 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 12.0 t70 -75.88 122.69 24.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.628 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -118.5 23.05 11.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.415 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -62.85 -29.55 70.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.45 -20.58 61.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.406 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -133.24 23.97 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.002 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.8 ptp -62.91 147.9 48.96 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 m -99.33 106.26 38.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.889 173.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 7.1 Cg_exo -74.1 162.17 39.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.013 2.475 . . . . 0.0 112.472 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 51.2 p-80 -64.71 124.83 22.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -81.04 -13.59 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.244 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.79 -173.97 33.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.039 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.62 121.36 8.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.189 2.593 . . . . 0.0 112.48 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.1 mt -109.42 124.52 33.65 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.77 111.84 2.5 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.388 2.059 . . . . 0.0 111.974 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -85.74 121.5 28.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.806 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.53 -43.5 6.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.427 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.304 -178.037 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' HB3' ' A' ' 86' ' ' ASP . 27.1 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.832 0.349 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.553 HG21 ' HB ' ' A' ' 83' ' ' VAL . 13.5 t -138.41 -178.31 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.175 177.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.5 ttp -63.81 141.02 58.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.42 155.67 53.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.187 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 8' ' ' VAL . 21.5 p -111.5 156.9 20.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -54.48 -22.01 11.59 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.97 -24.08 62.29 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.625 177.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 HD11 ' A' ' 11' ' ' ILE . 11.4 p -59.38 -27.53 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 111.015 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -10.95 60.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.454 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 -30.71 7.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.932 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 8' ' ' VAL . 14.0 pt -83.27 147.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.724 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -134.58 -179.32 5.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.321 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 107.37 7.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 160.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.718 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 m -96.47 125.69 46.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.211 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.53 113.57 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 111.531 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 2.3 p -76.0 -9.9 58.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.629 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.13 152.53 28.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.988 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.34 -46.42 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.288 0.565 . . . . 0.0 109.66 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.33 -165.14 21.11 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.658 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.07 98.55 5.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.6 tp10 -66.49 90.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.0 tp10 167.01 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 41.1 m -67.28 -29.36 68.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.29 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.56 -17.62 64.12 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.605 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG3' HG23 ' A' ' 27' ' ' ILE . 13.9 ptpt -74.64 -26.6 59.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.466 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.596 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.8 pt -110.93 -20.27 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.09 29.3 8.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.061 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.7 t -87.28 143.19 34.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 5.4 Cg_exo -79.14 -166.84 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.093 2.529 . . . . 0.0 112.234 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.44 ' CZ2' ' HG2' ' A' ' 99' ' ' PRO . 12.4 p90 -161.69 170.17 20.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.976 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.5 -66.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' HD2' ' OD1' ' A' ' 70' ' ' ASP . 32.3 m80 -131.49 144.55 51.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.877 0.37 . . . . 0.0 110.223 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.8 mt -102.33 134.31 45.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.795 174.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.7 mtt180 -126.96 136.11 51.81 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 92' ' ' THR . 14.6 tt -97.05 131.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.697 0.761 . . . . 0.0 110.282 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HA ' HG22 ' A' ' 66' ' ' ILE . 42.8 t -76.76 112.54 13.46 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.031 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.6 mmm180 -72.11 2.72 5.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 -58.66 1.97 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.899 0.381 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.23 -15.87 15.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.328 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.01 23.45 45.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.823 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 17.0 t60 -94.59 137.81 33.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.759 0.779 . . . . 0.0 110.089 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -105.35 143.28 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.4 169.13 39.75 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.192 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 12.1 p -73.01 133.47 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.024 0.44 . . . . 0.0 109.909 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 p -87.28 -169.07 2.46 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.447 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 28.0 t70 -58.5 -22.48 55.22 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.945 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.14 -34.98 59.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 m -104.43 148.07 35.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.285 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.2 -16.28 51.33 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.908 2.406 . . . . 0.0 113.312 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.4 t60 -76.84 -29.47 55.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 49' ' ' SER . 8.7 mtmt 49.15 44.17 22.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.38 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -68.17 -28.57 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 46' ' ' CYS . . . -75.97 -38.86 57.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 47' ' ' ASP . 60.1 p -77.69 -42.16 35.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.991 -176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.1 -27.69 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.88 -47.08 84.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 19.3 t80 -61.46 -40.02 93.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.631 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -60.95 -26.89 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.824 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.81 -51.88 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.008 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -81.05 -27.18 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.79 35.45 50.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.517 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -103.45 97.12 9.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.3 Cg_endo -80.24 -15.21 11.57 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.684 2.256 . . . . 0.0 114.839 -168.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' HB ' HG21 ' A' ' 11' ' ' ILE . 64.2 mt -110.12 126.27 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.634 0.731 . . . . 0.0 112.404 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.552 HD12 ' HD2' ' A' ' 35' ' ' ARG . 37.4 pt -130.94 160.57 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.442 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 40.1 tt0 -127.83 146.5 50.59 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.179 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.88 109.93 3.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.843 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.8 t80 -95.78 -40.81 9.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.667 0.27 . . . . 0.0 110.413 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.605 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 6.7 t70 -68.34 -47.55 37.3 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.57 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.1 Cg_endo -99.75 89.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.649 2.233 . . . . 0.0 111.29 167.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 2.8 Cg_exo -75.49 89.79 1.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.757 2.305 . . . . 0.0 112.037 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.9 mt-10 -113.08 -11.81 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.582 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 79.46 65.49 1.78 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 45.9 p-90 -142.17 149.33 39.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 110.805 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.57 118.03 4.14 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.746 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 74.1 t-105 -94.19 127.77 40.23 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.3 t -109.3 103.18 12.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -45.87 -56.62 5.18 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.3 m -67.39 -20.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.595 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -95.63 -35.19 11.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 0.0 110.174 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 63.52 29.44 15.33 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.358 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.553 ' HB ' HG21 ' A' ' 2' ' ' THR . 21.9 m -115.51 146.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.017 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.9 ttm -113.07 108.5 17.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -99.73 165.52 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 7.6 p-10 -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.394 0.616 . . . . 0.0 111.325 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -132.94 23.94 4.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.665 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 10.4 t -57.86 -37.67 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.921 -172.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -86.68 0.04 55.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.563 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.7 15.71 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.73 0.3 . . . . 0.0 110.24 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.2 ptm -69.87 153.46 43.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.692 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.458 HG21 HD13 ' A' ' 36' ' ' ILE . 3.0 m -84.91 116.33 64.9 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.445 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.37 157.72 41.1 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.384 2.056 . . . . 0.0 112.037 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.562 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 28.4 p-80 -91.21 129.0 37.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -93.03 -10.39 36.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.4 175.47 28.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.099 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.39 116.63 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.674 2.916 . . . . 0.0 112.143 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -95.3 129.13 36.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.648 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 31' ' ' TRP . 24.7 Cg_endo -63.69 109.58 1.09 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.624 2.216 . . . . 0.0 112.126 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -85.48 114.31 22.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.688 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -102.61 -8.86 20.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.321 178.158 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -166.8 174.99 8.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.988 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -73.98 -32.49 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.386 0.613 . . . . 0.0 109.535 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.56 -88.74 1.25 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.916 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.8 p 179.44 177.27 0.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.5 -17.51 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 111.23 -177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.5 -26.41 68.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 14.7 t -68.0 -30.14 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 121.391 0.615 . . . . 0.0 109.809 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.79 60.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.588 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.4 -28.32 13.25 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.701 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.556 HD13 HG21 ' A' ' 65' ' ' ILE . 41.4 pt -76.15 151.31 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.214 0.53 . . . . 0.0 111.096 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.98 -170.42 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.634 -177.452 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -77.59 125.23 29.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 m -121.29 151.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.979 0.419 . . . . 0.0 111.668 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.6 m -93.21 126.78 49.51 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.512 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.9 130.91 38.92 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.057 2.504 . . . . 0.0 112.485 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -68.2 -37.94 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.8 173.03 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.85 -50.61 68.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.172 0.511 . . . . 0.0 109.935 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -122.93 -163.56 11.84 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.144 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 42.8 t -67.65 112.2 4.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 22' ' ' GLU . 5.8 mp0 -62.01 -29.49 70.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.103 0.478 . . . . 0.0 110.096 -176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 12.8 tp10 -56.09 -53.26 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.93 176.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 29' ' ' SER . 70.2 m -66.6 -36.31 82.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.559 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 93.8 mt -67.15 -15.71 63.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.939 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -67.84 -25.58 65.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 110.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 29' ' ' SER . 17.2 pt -124.18 -11.62 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.4 26.71 24.77 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.826 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 15.9 t -84.54 150.75 57.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.441 0.296 . . . . 0.0 110.523 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -73.66 -172.47 1.08 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.034 2.489 . . . . 0.0 112.497 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.716 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 20.1 p90 -157.16 179.88 8.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.546 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 102' ' ' VAL . 55.9 t -106.26 -74.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -138.85 129.87 26.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.438 0.637 . . . . 0.0 111.027 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 50.9 mt -85.94 138.06 32.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.065 -176.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -112.7 130.68 55.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.972 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' HB ' ' HB2' ' A' ' 69' ' ' TYR . 18.4 tt -97.45 127.23 49.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.844 0.83 . . . . 0.0 110.563 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.2 t -74.79 113.48 12.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.597 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -72.33 -0.27 11.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -96.86 -29.89 13.46 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.75 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.0 2.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.041 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.84 78.56 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.619 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.82 137.95 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.73 129.91 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.349 0.595 . . . . 0.0 110.859 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.33 125.14 3.1 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.92 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.716 ' SG ' ' HB2' ' A' ' 31' ' ' TRP . 6.0 t -72.14 142.31 49.12 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.3 t -60.9 164.82 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 111.779 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.2 p-10 -63.89 -13.81 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.358 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.11 -32.06 73.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 m -85.92 143.6 37.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.547 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -32.9 59.45 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.131 2.554 . . . . 0.0 113.158 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -65.03 -35.48 81.31 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.291 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 50.2 mtmt 47.89 53.8 10.92 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.571 0.544 . . . . 0.0 111.727 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -78.88 -24.9 43.93 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.048 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.15 77.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.803 0.335 . . . . 0.0 110.499 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 8.8 p -71.74 -48.55 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.518 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -60.51 -37.37 80.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -65.74 -41.57 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.393 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 14.3 t80 -59.35 -44.58 92.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.36 -31.99 71.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.3 -58.45 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.974 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.2 p -84.19 -23.01 30.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.13 44.78 12.76 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.258 -174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -115.98 99.99 53.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 98.8 Cg_endo -79.11 -18.43 11.29 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.865 2.377 . . . . 0.0 114.937 -167.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.556 HG21 HD13 ' A' ' 11' ' ' ILE . 46.4 mt -106.5 125.11 62.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.571 0.7 . . . . 0.0 112.609 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.19 159.61 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.829 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.08 168.67 17.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.6 101.32 2.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.147 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.672 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 25.1 t80 -91.89 -62.18 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.278 . . . . 0.0 111.457 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 4.4 t70 -64.9 -51.95 53.27 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 5.1 Cg_endo -88.51 108.02 0.52 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.151 1.9 . . . . 0.0 110.715 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.6 84.57 0.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.285 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.61 -37.43 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.91 75.92 1.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.609 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.41 ' HZ3' ' HB2' ' A' ' 77' ' ' TRP . 62.9 p-90 -157.3 146.51 20.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.811 0.338 . . . . 0.0 110.174 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.25 134.24 11.63 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.637 -176.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 75' ' ' TRP . 70.2 t-105 -113.51 128.89 56.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 6.9 t -110.83 107.6 17.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -52.48 -54.47 32.02 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG13 ' HZ ' ' A' ' 58' ' ' PHE . 11.5 m -62.86 -25.41 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.5 m-20 -93.06 -36.2 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.004 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 66.58 25.79 9.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.454 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -103.97 150.71 7.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.893 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -121.77 124.55 44.47 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 29.8 p90 -128.27 148.93 50.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.432 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -75.12 132.19 41.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -126.81 23.93 6.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.474 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -60.59 -25.97 66.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.261 0.553 . . . . 0.0 110.993 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 90' ' ' ARG . 9.7 p-10 -81.2 -20.91 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.551 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 89' ' ' ASP . 80.7 mtt180 -124.92 17.15 8.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.4 ptm -67.83 152.86 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.008 0.432 . . . . 0.0 111.841 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.8 m -108.42 105.12 56.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.784 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.96 149.92 85.91 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.937 2.424 . . . . 0.0 112.058 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.672 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 43.4 p-80 -61.05 133.48 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.001 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -71.17 -36.23 71.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.965 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.61 -160.77 8.79 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.812 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.11 112.33 2.71 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.234 2.623 . . . . 0.0 112.642 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -108.84 111.29 60.9 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.03 109.12 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.736 2.291 . . . . 0.0 111.754 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -74.89 109.13 8.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.83 -33.54 34.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.779 0.323 . . . . 0.0 110.509 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.57 HG21 HG13 ' A' ' 32' ' ' VAL . 3.4 m . . . . . 0 C--O 1.246 0.871 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.745 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.032 0.444 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -126.72 -168.11 1.82 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.226 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.6 ttt -66.43 -45.44 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.306 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.54 -116.27 2.61 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.273 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 26.4 p -174.94 178.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -65.44 -22.32 66.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.548 0.213 . . . . 0.0 111.349 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.9 m80 -60.79 -25.9 66.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.607 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 16.4 t -64.6 -29.18 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.336 0.589 . . . . 0.0 110.278 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.14 -2.21 29.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.243 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.97 2.02 17.15 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.799 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 38' ' ' ARG . 42.2 pt -101.07 153.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -132.57 168.0 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.208 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 121.2 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -107.24 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.238 0.542 . . . . 0.0 111.892 -174.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.8 m -126.77 126.04 24.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.328 176.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 25.9 Cg_exo -63.04 130.11 27.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.396 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -76.08 -12.32 60.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.45 -173.28 3.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 96' ' ' GLY . 81.1 mt -95.89 -43.86 7.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.66 -124.87 2.5 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.637 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 63.5 m -80.79 98.47 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.02 -59.87 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.083 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' CD ' ' HE2' ' A' ' 53' ' ' HIS . 15.9 tt0 -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.554 0.216 . . . . 0.0 111.22 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 79.3 m -51.46 -29.59 16.78 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.9 mt -55.55 -30.43 60.77 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG3' HG23 ' A' ' 27' ' ' ILE . 19.9 ptmt -63.38 -28.74 70.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.541 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.55 4.12 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 111.469 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.79 40.19 95.52 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.087 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 30.0 t -80.48 123.45 82.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.17 172.32 16.48 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.923 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -152.06 159.54 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.612 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 33' ' ' HIS . 57.4 t -79.32 -61.39 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 92.3 m-70 -144.27 -175.57 4.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.747 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' CYS . 94.6 mt -131.24 142.82 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.592 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.79 147.33 46.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.079 174.138 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.533 HG22 ' HB2' ' A' ' 69' ' ' TYR . 12.2 tt -129.42 140.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.569 -173.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -67.59 142.27 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.175 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.55 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 13.3 mmm180 -81.9 38.86 0.54 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 -66.81 0.4 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.518 -172.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.0 p -99.13 -5.45 30.12 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 13.74 67.38 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.856 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -91.91 128.67 37.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.278 -0.542 . . . . 0.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.28 130.45 36.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.637 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.72 149.62 17.65 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.799 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.79 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.3 p -79.9 153.02 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.639 0.22 . . . . 0.0 110.437 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 85.3 m -58.97 146.21 38.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.092 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 17.9 m-20 -79.08 -0.77 32.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.458 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 46' ' ' CYS . 2.3 m-20 -65.46 -27.92 68.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.031 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.41 ' OG ' HG23 ' A' ' 32' ' ' VAL . 16.4 m -85.74 142.7 37.16 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.415 175.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.33 -33.64 22.95 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 123.684 2.923 . . . . 0.0 113.806 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -39.88 91.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.161 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 44.2 mtmt 44.7 74.24 0.13 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.87 0.732 . . . . 0.0 112.354 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 1.4 m80 -79.08 -38.02 37.35 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.053 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . . . -64.91 -46.82 80.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.406 HG23 ' CG ' ' A' ' 47' ' ' ASP . 22.9 p -67.07 -45.15 78.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -67.08 -36.83 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.675 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.78 -40.52 88.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.992 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.71 -41.3 97.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -64.89 -32.01 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.042 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.44 -43.66 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.3 p -99.54 -28.11 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.7 43.15 9.3 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.151 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -110.75 95.88 25.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 99.0 Cg_endo -79.29 -17.76 11.44 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.786 2.324 . . . . 0.0 114.126 -171.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.5 mt -103.06 120.74 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.411 0.624 . . . . 0.0 111.805 -176.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.592 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 27.8 pt -121.61 131.72 72.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.144 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 35.6 tt0 -101.03 146.92 26.81 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.21 101.2 0.53 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.901 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 50.5 t80 -91.09 -57.73 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 5.3 t70 -72.14 -49.67 9.57 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.694 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 12.3 Cg_exo -70.89 112.76 3.36 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.813 1.675 . . . . 0.0 111.21 174.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.25 76.87 2.96 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.051 2.501 . . . . 0.0 112.216 -176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.01 -62.58 1.22 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.253 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 109.06 75.85 0.89 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.346 178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -149.21 156.48 42.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.78 124.57 5.72 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.911 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 65.3 t-105 -99.69 137.61 37.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.4 t -118.71 106.56 12.7 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -50.66 -52.27 41.38 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' OD1' ' A' ' 81' ' ' ASP . 14.7 m -64.77 -19.74 26.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.1 m-20 -102.29 -31.81 10.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.91 28.12 14.5 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.606 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.13 155.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.104 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 1' ' ' MET . 47.6 ttm -121.03 123.13 41.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.693 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 38.3 p90 -112.52 162.6 15.46 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.529 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 133.35 35.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.6 mt -135.68 22.41 3.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.403 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.577 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 32.8 t -57.69 -33.06 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.977 -173.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.38 1.26 55.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 0.0 111.59 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -134.22 6.97 3.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.18 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.606 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.8 ptm -67.06 153.66 43.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -167.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -91.8 102.77 6.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.862 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 91' ' ' MET . 12.1 Cg_exo -70.96 157.8 57.09 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.663 2.242 . . . . 0.0 112.11 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.648 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 9.0 p80 -49.43 126.93 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.664 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.48 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.849 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -155.17 -153.69 6.61 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.623 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.04 136.85 28.01 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.963 2.442 . . . . 0.0 111.391 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.0 mt -128.23 124.36 22.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.23 106.8 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.675 2.25 . . . . 0.0 111.804 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -86.6 112.7 21.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -85.91 -52.88 5.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.333 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 32' ' ' VAL . 2.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.321 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -137.08 -176.47 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.0 ttp -68.93 148.4 50.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.84 157.56 53.49 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.778 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.86 176.01 5.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -56.02 -28.25 56.57 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.01 -25.45 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.388 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.582 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 21.2 t -66.08 -30.14 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-O 121.227 0.537 . . . . 0.0 110.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -13.91 62.41 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.835 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -9.63 39.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.985 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.7 pt -88.03 154.62 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.962 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -129.46 174.25 9.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.9 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -85.48 108.91 18.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.3 166.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.386 0.612 . . . . 0.0 112.444 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 52.6 m -108.02 121.95 42.24 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.167 175.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -59.78 123.64 13.69 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.842 2.361 . . . . 0.0 112.777 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 -33.08 74.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.551 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 166.83 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.361 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.23 -44.32 68.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -131.76 -152.64 7.22 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.441 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.0 t -79.32 97.49 6.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.56 -30.58 71.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.357 -174.646 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.52 -41.36 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.262 0.553 . . . . 0.0 109.978 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 29' ' ' SER . 87.7 m -67.99 -30.07 69.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 22' ' ' GLU . 91.5 mt -68.48 -19.59 64.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.878 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -76.61 -16.51 59.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.69 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.4 -1.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.85 47.16 33.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.045 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 45.1 t -96.23 112.18 58.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.754 0.311 . . . . 0.0 110.501 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.11 115.87 3.7 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.022 2.481 . . . . 0.0 112.213 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -86.22 155.64 20.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.45 -53.6 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.912 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -137.98 168.79 18.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD13 ' HA2' ' A' ' 20' ' ' GLY . 97.7 mt -128.84 135.09 48.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 111.132 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 66' ' ' ILE . 50.8 mtt180 -130.79 134.14 46.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.797 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 69' ' ' TYR . 10.1 tt -125.43 137.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.549 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 m -67.72 147.1 53.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.342 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -86.65 36.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.275 0.56 . . . . 0.0 109.502 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -139.6 -67.57 0.44 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.287 -174.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.7 -19.69 23.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.15 83.43 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.412 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -87.39 128.12 35.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.53 131.1 37.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.437 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.01 148.46 18.14 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.675 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 29.9 p -73.07 140.18 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.934 0.367 . . . . 0.0 110.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.98 164.05 4.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.43 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.617 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.7 p-10 -72.2 -4.63 30.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.412 -175.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.18 -47.22 86.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -78.92 141.33 58.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.149 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.1 -19.48 56.62 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.244 2.629 . . . . 0.0 113.057 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 58.3 t-80 -66.67 -35.61 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.954 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 59.7 mtmt 42.88 52.35 5.15 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.003 0.814 . . . . 0.0 112.654 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.416 ' HB3' ' H ' ' A' ' 45' ' ' CYS . 7.6 t-160 -73.19 -16.99 61.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -46.33 26.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.527 ' OG1' ' HB3' ' A' ' 52' ' ' LYS . 17.1 p -77.59 -47.59 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.693 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.75 -33.39 72.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 110.517 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.717 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.14 -44.42 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -28.38 67.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.117 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.81 -55.01 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.764 0.316 . . . . 0.0 111.677 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.0 p -79.35 -40.33 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.94 38.62 6.4 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.998 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -107.57 95.11 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 73.8 Cg_endo -75.94 -20.23 15.24 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 114.041 -170.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.3 mt -103.4 120.14 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.541 0.686 . . . . 0.0 111.683 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' HD3' ' A' ' 35' ' ' ARG . 21.2 pt -130.01 137.6 56.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.409 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.25 143.39 33.02 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.051 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.32 110.0 3.22 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.0 t80 -91.11 -37.77 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -172.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.1 p-10 -79.88 -33.62 0.8 Allowed Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 10.0 Cg_endo -90.68 122.41 0.86 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.894 1.729 . . . . 0.0 111.697 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 13.4 Cg_exo -71.34 50.7 1.29 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.391 2.728 . . . . 0.0 112.459 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 71' ' ' PRO . 39.2 mt-10 -98.36 -51.17 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 89.43 83.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.543 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -154.0 154.23 33.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.674 0.273 . . . . 0.0 110.523 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.07 121.32 5.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.885 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 70.7 t-105 -94.86 131.46 40.74 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.1 t -111.9 102.77 11.0 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 42.8 m-85 -43.56 -65.58 0.48 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -174.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.48 -22.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.98 -32.78 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 67.76 26.96 7.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.364 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.02 153.75 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.326 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.9 ttm -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.953 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 36.6 p90 -104.57 157.88 16.87 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 11.5 t70 -81.62 135.96 35.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 mt -133.73 17.78 3.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.387 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.527 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.0 p -61.24 -29.7 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.748 -172.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -83.58 -5.23 59.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.268 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -138.23 22.76 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.302 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.2 152.91 36.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.498 . . . . 0.0 112.295 -170.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 124.2 89.86 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.598 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.52 142.27 70.78 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.64 2.227 . . . . 0.0 112.405 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -70.22 125.37 26.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.531 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -73.2 -28.72 62.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.7 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.67 -175.71 38.95 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.912 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.25 112.97 3.57 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.033 2.488 . . . . 0.0 111.557 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 58.3 mt -89.84 126.35 57.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 20.4 Cg_exo -65.43 122.12 9.73 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.721 2.281 . . . . 0.0 111.351 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -103.43 110.29 22.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.11 -13.31 57.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.95 0.405 . . . . 0.0 110.622 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.753 177.675 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HG3' ' A' ' 3' ' ' MET . 23.0 m -121.9 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.139 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.512 ' HG3' HG22 ' A' ' 2' ' ' THR . 85.0 mtp -141.48 168.52 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 -174.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 -167.36 34.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 173.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 46.4 t -162.66 144.7 10.55 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.3 -0.53 . . . . 0.0 111.331 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 7.4 ptp85 -55.71 -26.94 47.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.135 0.574 . . . . 0.0 112.4 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.94 -24.06 49.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.231 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -59.97 -28.78 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.121 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -9.57 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.33 -10.78 50.34 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.486 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.56 HD13 HG21 ' A' ' 65' ' ' ILE . 47.9 pt -101.01 149.49 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -133.78 -179.58 5.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -80.18 104.08 10.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG21 ' HA2' ' A' ' 41' ' ' GLY . 16.9 m -98.73 172.0 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.203 -171.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.3 m -102.97 124.67 37.76 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.545 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 38.2 Cg_exo -60.94 114.89 2.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.827 2.351 . . . . 0.0 112.352 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -57.35 -39.53 76.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.9 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.32 167.38 20.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.956 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' HA3' ' A' ' 96' ' ' GLY . 53.3 mt -78.18 -38.83 42.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.638 0.732 . . . . 0.0 109.25 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -127.53 -150.21 7.34 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.704 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 6.7 p -81.62 103.85 11.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.253 0.526 . . . . 0.0 110.17 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.52 52.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.394 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 31.8 tp10 -56.61 -57.82 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.197 0.523 . . . . 0.0 110.6 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.932 0.396 . . . . 0.0 110.722 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 ' HZ3' ' A' ' 31' ' ' TRP . 63.4 mt -71.17 -15.85 62.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.3 ptmt -76.44 -18.47 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.232 -178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.495 HG23 ' HG3' ' A' ' 26' ' ' LYS . 14.3 pt -122.74 -3.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.33 26.52 51.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.825 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -91.27 147.21 35.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 122.67 -0.312 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.95 176.72 9.09 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.683 2.255 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.471 ' HZ3' HD21 ' A' ' 25' ' ' LEU . 15.7 p90 -142.28 164.97 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 t -101.56 -55.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 34.6 m80 -136.58 156.88 47.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.347 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD13 ' HA2' ' A' ' 20' ' ' GLY . 92.9 mt -122.69 139.33 54.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.7 mtt180 -125.5 121.2 33.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.487 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -96.46 120.91 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.998 0.904 . . . . 0.0 109.49 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 114.01 10.28 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.443 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 9.6 mmm180 -72.78 4.35 4.17 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.76 -54.18 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.311 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.9 -6.12 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.375 -173.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 77.59 17.32 79.15 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.662 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 137.82 33.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 44' ' ' GLY . 4.1 t -88.88 169.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -169.05 149.64 14.08 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 p -76.48 138.29 40.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.73 0.3 . . . . 0.0 110.296 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 50.8 t -62.43 167.39 4.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.857 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 2.1 p30 -65.81 -9.57 29.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.401 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.9 -24.64 66.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.191 173.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -94.4 141.09 23.04 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.537 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.52 -31.76 50.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.323 2.682 . . . . 0.0 113.361 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HE1' HD11 ' A' ' 27' ' ' ILE . 8.0 m80 -67.89 -43.69 78.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.602 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 48.6 mtmt 54.86 42.9 30.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.299 0.374 . . . . 0.0 111.194 -177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -68.33 -23.8 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.219 -174.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.74 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.6 0.238 . . . . 0.0 111.562 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -79.72 -43.03 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.801 0.334 . . . . 0.0 110.868 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -61.47 -34.51 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.834 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -56.81 -42.28 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.055 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 22.6 t80 -62.3 -40.63 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.981 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -65.06 -26.93 68.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.826 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 -46.08 8.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.199 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.9 p -93.78 -23.64 18.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.01 50.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.885 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -102.01 97.91 9.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.5 Cg_endo -84.33 9.56 4.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.198 2.598 . . . . 0.0 115.113 -166.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 HD13 ' A' ' 11' ' ' ILE . 42.4 mt -131.91 127.71 58.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 111.957 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.6 pp -126.85 154.78 37.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.091 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.692 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.6 tt0 -118.01 141.52 48.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.069 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.98 110.89 3.67 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.505 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 22.1 t80 -95.91 -31.09 13.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.631 0.253 . . . . 0.0 111.65 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.2 p-10 -81.6 -35.24 0.75 Allowed Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.059 -0.495 . . . . 0.0 112.2 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 1.5 Cg_endo -83.9 123.16 3.14 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.799 1.666 . . . . 0.0 110.888 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 11.9 Cg_exo -71.68 39.67 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.287 2.658 . . . . 0.0 112.932 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -98.33 -53.14 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.664 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.11 84.66 1.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.031 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 36.2 p-90 -147.13 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.39 143.43 14.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.141 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.565 ' HB3' HD11 ' A' ' 66' ' ' ILE . 48.3 t-105 -119.84 128.29 53.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.31 106.75 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -51.7 -61.38 2.29 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.45 HG13 ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -65.37 -21.35 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 2.8 m-20 -89.61 -30.62 18.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 110.179 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.72 28.61 17.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.627 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 81' ' ' ASP . 33.7 m -110.51 144.3 18.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.578 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.464 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 26.7 ttt -110.85 137.64 48.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.037 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.32 150.05 42.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 156.89 22.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.211 0.529 . . . . 0.0 110.755 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 90' ' ' ARG . 90.4 mt -126.6 45.6 2.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.532 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -47.51 -43.56 24.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -103.86 5.93 36.16 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD2' HD22 ' A' ' 87' ' ' LEU . 60.5 mtt180 -115.81 -9.51 11.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.59 0.233 . . . . 0.0 110.398 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.692 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ptm -56.75 138.9 52.34 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.637 -170.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -93.96 116.21 66.15 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.456 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.28 146.96 52.26 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.242 1.962 . . . . 0.0 110.662 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 6.1 p-80 -62.15 130.64 46.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 110.445 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.47 -0.44 56.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.239 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -159.35 174.69 36.28 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.68 114.04 3.83 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.531 2.154 . . . . 0.0 112.139 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.411 HD11 ' CE2' ' A' ' 69' ' ' TYR . 49.5 mt -94.51 111.4 53.72 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.98 124.93 16.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.921 2.414 . . . . 0.0 112.363 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.411 ' HD2' ' O ' ' A' ' 100' ' ' ARG . 8.1 tmm_? -84.14 101.65 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.19 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -87.13 -26.01 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.036 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 3.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.012 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' A' ' 86' ' ' ASP . 61.5 ttp . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.519 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 15.0 t -136.81 -169.41 2.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.7 mmm -80.57 148.02 30.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.807 0.337 . . . . 0.0 111.065 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.65 144.67 45.85 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.393 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 29.3 p -97.45 165.57 11.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.32 -18.26 60.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.42 -24.86 61.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -58.69 -28.9 38.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 178.42 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.61 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.76 -12.55 59.17 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.688 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 HD13 HG21 ' A' ' 65' ' ' ILE . 46.5 pt -100.17 152.58 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.01 0.433 . . . . 0.0 110.526 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.62 177.49 7.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.096 -179.016 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -77.91 104.69 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 ' HA2' ' A' ' 41' ' ' GLY . 25.9 m -93.99 176.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.242 -174.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.6 m -119.73 122.83 28.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 175.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 32.3 Cg_exo -60.69 119.7 7.01 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.827 2.352 . . . . 0.0 112.18 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -79.26 -22.64 44.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.07 148.35 50.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.5 mp -79.06 -68.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.66 -152.79 28.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 45.9 t -82.93 107.65 15.68 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.516 -0.402 . . . . 0.0 110.806 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -45.16 -45.51 11.5 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.891 0.744 . . . . 0.0 111.517 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 tp10 -58.35 -59.15 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.106 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 29' ' ' SER . 63.2 m -61.33 -35.87 78.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 92.0 mt -68.52 -21.23 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 14.2 ptmt -71.41 -20.56 62.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.597 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.82 -6.78 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.473 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.35 44.04 7.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.977 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 42.2 t -110.19 147.78 36.98 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.42 174.74 12.29 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.411 2.074 . . . . 0.0 112.068 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -140.48 -179.65 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.416 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.08 -56.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 40.9 m80 -141.35 163.44 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 92.4 mt -117.56 138.97 51.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.098 0.475 . . . . 0.0 111.256 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HD2' HD12 ' A' ' 66' ' ' ILE . 19.6 mmt85 -121.34 115.44 22.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.272 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.3 tt -96.35 128.58 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.888 0.851 . . . . 0.0 110.068 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -77.99 117.01 18.9 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.907 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.9 mmm180 -72.26 -0.95 13.48 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 m -95.05 -51.65 4.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.843 0.354 . . . . 0.0 111.41 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.8 p -117.69 1.36 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.368 -172.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 71.18 20.03 77.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.863 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -94.9 134.3 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.822 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.61 139.26 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.596 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.51 164.18 25.14 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.0 p -73.43 143.58 46.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.826 0.313 . . . . 0.0 110.236 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 34.5 t -64.59 170.34 4.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.7 p-10 -66.69 -16.52 64.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.708 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.995 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -83.7 133.24 46.89 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.07 -33.65 15.52 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 124.319 3.346 . . . . 0.0 114.51 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.574 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 23.7 m-70 -66.86 -38.0 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.047 -176.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 53.7 mtmt 43.85 44.44 5.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 0.0 112.552 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -75.19 -16.2 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.782 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.6 83.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.796 0.331 . . . . 0.0 110.594 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -71.71 -42.46 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.4 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -61.81 -30.06 70.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.151 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.84 -35.59 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.299 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.14 -27.56 64.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.558 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.69 -52.92 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.81 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.4 p -92.08 -40.66 10.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.66 35.34 6.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.659 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -104.97 102.74 37.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.2 Cg_endo -83.62 -0.3 9.7 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.124 2.549 . . . . 0.0 115.215 -166.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.497 HG21 HD13 ' A' ' 11' ' ' ILE . 49.5 mt -124.21 126.77 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.512 0.672 . . . . 0.0 112.349 -176.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HD2' ' A' ' 35' ' ' ARG . 28.3 pt -127.72 158.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.151 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 36' ' ' ILE . 38.3 tt0 -125.12 151.45 45.71 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.007 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.08 108.36 2.47 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.031 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -96.1 -37.37 10.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.0 110.645 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.63 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 15.8 t70 -71.34 -46.81 13.74 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 176.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 33.2 Cg_endo -98.55 90.01 0.06 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.538 2.158 . . . . 0.0 110.431 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 6.2 Cg_exo -78.13 49.34 2.96 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.46 2.773 . . . . 0.0 112.6 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -84.06 -3.93 58.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.668 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 77.86 68.93 1.45 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.484 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.603 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 60.4 p-90 -140.58 143.11 35.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 178.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.37 137.92 13.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -111.08 130.86 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -111.2 114.49 27.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 65.7 m-85 -54.03 -65.07 0.63 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -172.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -64.92 -20.16 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -89.27 -34.81 16.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.133 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 63.96 28.74 14.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.273 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' HB ' ' CG2' ' A' ' 2' ' ' THR . 23.3 m -110.68 148.65 13.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.47 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.4 ttp -120.22 123.74 43.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.522 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -125.94 166.78 16.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.529 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 21.1 t70 -84.16 136.1 34.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.196 -177.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.5 mt -134.73 20.35 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.167 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 47.4 t -57.77 -33.44 68.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 111.745 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -94.63 6.43 48.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.848 0.356 . . . . 0.0 110.712 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -138.79 16.38 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -72.78 168.93 17.79 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.351 0.596 . . . . 0.0 112.49 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -88.53 129.28 49.72 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.03 122.59 9.2 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.225 1.95 . . . . 0.0 111.439 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -61.32 144.4 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.663 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -87.44 -33.35 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.77 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.64 -169.81 22.52 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.184 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.48 143.79 35.16 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.812 2.341 . . . . 0.0 112.055 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.2 mt -118.46 126.72 27.01 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.213 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.74 108.44 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 111.736 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -77.23 111.31 12.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.937 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -100.72 -22.7 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.0 179.049 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.436 0.636 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.8 m -111.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 4' ' ' GLY . 26.9 ttt -156.18 139.47 15.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.439 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 3' ' ' MET . . . -82.45 179.59 53.09 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.328 174.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.2 p -151.85 166.73 30.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.111 0.456 . . . . 0.0 110.188 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -59.24 -24.84 63.52 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 34.9 m170 -62.79 -25.11 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -64.45 -27.57 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.981 0.42 . . . . 0.0 110.72 -177.551 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 -0.59 18.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 110.961 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.29 11.84 24.01 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.485 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.763 HG12 ' O ' ' A' ' 8' ' ' VAL . 28.6 pt -100.36 152.23 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.167 0.508 . . . . 0.0 110.432 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -132.75 158.98 41.04 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.333 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 58.4 m -74.04 104.47 4.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 20.3 m -98.93 175.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.533 -170.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 38.0 m -109.2 126.95 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.111 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 24.6 Cg_exo -63.45 123.62 12.4 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.876 2.384 . . . . 0.0 112.157 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.9 m -63.57 -28.66 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 172.49 16.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.549 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 8.1 mp -65.82 -54.9 20.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.07 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.23 -144.43 12.1 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.436 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.76 122.18 22.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.612 0.244 . . . . 0.0 110.404 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.57 -44.48 72.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.737 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.64 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 42.4 tt0 -61.42 -45.02 96.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 29' ' ' SER . 92.7 m -63.92 -39.06 93.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.859 0.361 . . . . 0.0 111.072 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.97 -17.57 62.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 23' ' ' GLU . 9.9 ptmt -85.81 -14.04 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.925 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -126.44 -10.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.85 48.84 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.428 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.564 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 29.2 t -109.1 145.72 32.35 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -80.32 -176.03 3.0 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.658 2.239 . . . . 0.0 112.523 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CD1' HD21 ' A' ' 34' ' ' LEU . 5.4 p90 -158.87 162.58 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.486 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.529 HG22 HG21 ' A' ' 102' ' ' VAL . 46.3 t -102.12 -64.81 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 175.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 35.5 m80 -123.39 158.13 31.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.93 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 70' ' ' ASP . 2.9 mm? -119.85 132.15 55.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.614 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 98.9 mtt180 -117.64 116.87 27.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.21 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 67' ' ' GLU . 15.8 tt -96.24 119.12 43.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 122.192 0.996 . . . . 0.0 109.394 175.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.43 109.8 6.38 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.465 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 14.6 mmm-85 -69.36 6.66 0.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -101.2 -49.96 3.92 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.13 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.5 p -118.34 -3.25 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.742 0.306 . . . . 0.0 111.49 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 81.26 8.35 87.33 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 114.389 174.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.444 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 11.1 t-80 -88.15 122.26 31.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 117.683 0.741 . . . . 0.0 109.81 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.49 130.58 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.326 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.08 156.51 22.6 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 4.6 p -73.42 143.34 46.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.915 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 35.6 t -66.54 171.37 5.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.077 -178.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 7.4 p-10 -76.87 0.25 21.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 15.0 m-20 -71.51 -22.41 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.406 0.622 . . . . 0.0 109.776 171.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 m -99.4 144.57 28.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.014 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.35 -29.7 39.99 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.543 2.828 . . . . 0.0 113.355 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.1 m-70 -62.54 -49.1 76.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.952 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 51.9 mtmt 51.69 39.37 25.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.091 0.472 . . . . 0.0 111.358 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 -18.77 63.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.53 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . . . -64.11 -40.78 96.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.476 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -79.65 -40.03 30.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -56.73 -37.2 70.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.6 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.46 -44.65 96.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.406 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.16 -38.16 90.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.72 -31.78 72.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.4 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.13 -58.39 2.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -84.3 -30.08 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.61 41.53 12.9 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.816 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -107.0 100.28 31.23 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 84.3 Cg_endo -82.09 1.95 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.97 2.447 . . . . 0.0 114.772 -167.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -125.76 126.89 70.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.462 0.649 . . . . 0.0 111.897 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.61 155.59 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.861 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB3' HG23 ' A' ' 36' ' ' ILE . 42.2 tt0 -117.34 140.94 48.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.034 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.85 106.72 1.84 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.482 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 11.2 t80 -93.24 -34.54 13.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.687 0.279 . . . . 0.0 111.409 -172.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' HB3' HD23 ' A' ' 34' ' ' LEU . 2.6 p-10 -73.62 -35.72 2.69 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.819 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 12.3 Cg_endo -92.7 117.67 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 121.99 1.794 . . . . 0.0 111.355 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.9 Cg_exo -70.81 25.17 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.393 2.729 . . . . 0.0 113.034 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 71' ' ' PRO . 35.8 mm-40 -77.79 -35.86 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.591 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 84.43 0.59 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.293 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -143.58 153.72 42.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.723 0.296 . . . . 0.0 110.493 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.33 135.52 10.3 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.123 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 66.0 t-105 -110.62 128.19 55.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.4 t -106.58 110.52 22.74 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -53.16 -60.15 3.66 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.3 m -67.05 -20.97 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -87.98 -38.96 15.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.169 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 65.64 28.69 11.16 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.825 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 81' ' ' ASP . 34.6 m -115.63 136.38 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.867 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -100.69 124.5 46.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.944 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -117.91 171.06 8.32 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 146.6 24.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.96 0.41 . . . . 0.0 110.263 -175.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.4 mt -137.94 19.43 2.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.002 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -54.82 -38.74 67.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.214 -172.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.06 -21.13 54.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.815 0.341 . . . . 0.0 111.328 -175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -125.98 15.23 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -170.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 ptm -70.26 162.46 28.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 m -84.21 115.24 59.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.29 139.06 81.01 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.447 2.098 . . . . 0.0 111.363 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 36.9 p-80 -63.55 136.76 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.658 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 19' ' ' LEU . 32.4 p-10 -85.18 -7.45 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.21 174.16 46.8 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.69 115.98 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.813 2.342 . . . . 0.0 111.864 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.6 mt -89.9 114.95 62.67 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.86 118.53 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.357 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.64 113.35 17.72 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.09 -46.99 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.291 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.529 HG21 HG22 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 C--O 1.245 0.85 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.33 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.974 0.416 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -96.22 -58.35 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.189 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 42.0 tpp -170.94 145.49 2.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.85 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.61 -177.52 46.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.101 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.3 t -161.76 148.36 14.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.569 -0.371 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -56.8 -26.54 58.19 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -62.49 -26.32 68.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.193 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 11' ' ' ILE . 17.1 t -67.7 -30.87 50.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.15 0.5 . . . . 0.0 110.787 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.64 -6.57 41.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.546 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.84 0.19 22.97 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.157 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 8' ' ' VAL . 40.1 pt -91.82 152.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 117.173 0.487 . . . . 0.0 111.184 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -112.55 176.67 4.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.485 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 29.8 m -95.83 123.12 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.0 m -110.38 167.28 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.345 0.593 . . . . 0.0 112.339 -170.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.5 m -103.04 125.16 36.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.48 173.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.676 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 31.8 Cg_exo -58.65 115.21 2.39 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.793 2.329 . . . . 0.0 112.77 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -56.52 -35.26 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.318 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.99 176.02 9.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.96 -44.57 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.806 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.23 -148.56 7.95 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -72.32 91.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.929 0.364 . . . . 0.0 110.133 175.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.69 -38.08 14.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.604 0.716 . . . . 0.0 110.428 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 69.6 tt0 -61.37 -65.52 0.68 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.449 -1.251 . . . . 0.0 111.521 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.14 -30.08 71.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.68 -27.2 68.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 19.9 ptmt -69.97 -22.8 63.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.777 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 26' ' ' LYS . 21.8 pt -116.84 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.447 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.01 37.3 91.98 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.761 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -105.04 142.17 24.1 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.26 -169.05 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.554 2.169 . . . . 0.0 112.178 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.1 p90 -156.72 167.33 30.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.895 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 22.3 t -96.33 -56.95 4.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.4 m-70 -133.07 176.59 8.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.362 176.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 86.6 mt -128.83 137.84 51.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -174.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 66' ' ' ILE . 96.8 mtt180 -139.47 146.73 40.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 67' ' ' GLU . 9.4 tt -135.43 136.07 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.7 m -64.03 147.98 50.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.072 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.577 ' HD3' ' HB2' ' A' ' 67' ' ' GLU . 9.4 mmm180 -85.9 30.35 0.67 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 170.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -140.06 -74.58 0.35 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.582 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 17.7 p -85.0 -6.53 59.33 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.68 12.1 63.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.068 -0.587 . . . . 0.0 114.116 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -94.28 135.49 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.347 0.574 . . . . 0.0 110.442 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.98 139.05 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.506 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 166.63 26.29 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.57 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 18.7 p -78.35 140.01 38.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 m -80.59 178.55 8.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.334 -173.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.464 ' HB3' HG23 ' A' ' 55' ' ' THR . 12.2 p-10 -77.83 -11.36 59.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 0.0 110.317 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.4 p30 -77.01 -22.28 53.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 171.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -91.42 146.77 33.97 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.772 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 -40.66 17.61 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.997 3.131 . . . . 0.0 114.707 -173.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 7.9 m170 -67.92 -36.97 81.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 49.35 43.99 23.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.118 0.567 . . . . 0.0 110.998 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -79.14 -26.76 42.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.209 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.92 78.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 HG23 ' HB3' ' A' ' 47' ' ' ASP . 22.3 p -73.79 -47.82 36.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.301 0.572 . . . . 0.0 110.746 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.64 -35.93 82.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.88 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -62.07 -36.44 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.538 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -62.1 -43.01 99.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.016 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -64.82 -34.09 77.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.54 -51.7 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.2 p -99.0 -26.44 14.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 47.33 5.81 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.363 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 40' ' ' CYS . 44.5 m170 -110.9 94.72 21.13 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.07 -6.31 10.34 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.316 2.677 . . . . 0.0 114.752 -168.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.502 HG21 HD13 ' A' ' 11' ' ' ILE . 31.3 mt -122.75 128.72 75.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 111.584 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.63 HD12 ' HD3' ' A' ' 35' ' ' ARG . 5.1 pt -124.85 138.27 54.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.456 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.586 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 7.3 tp10 -89.37 148.95 23.22 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.219 175.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.04 102.81 1.95 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.455 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' ' 16' ' ' PRO . 12.4 t80 -86.35 -33.38 20.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.973 0.416 . . . . 0.0 110.074 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -69.07 -50.97 19.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.757 175.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.8 Cg_endo -103.44 84.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.874 2.383 . . . . 0.0 111.345 166.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 4.0 Cg_exo -73.42 73.51 3.35 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.818 2.345 . . . . 0.0 111.956 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.28 -10.19 15.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.584 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.24 82.1 1.25 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.656 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.547 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 63.0 p-90 -158.39 151.99 23.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.963 0.411 . . . . 0.0 110.096 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 66' ' ' ILE . . . -125.84 134.6 8.77 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.771 -176.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.553 ' HB3' HG13 ' A' ' 66' ' ' ILE . 68.8 t-105 -101.73 127.63 48.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -100.76 105.76 17.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -46.67 -71.28 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.29 -24.78 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -173.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 3.9 m-20 -83.7 -31.18 26.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.001 0.429 . . . . 0.0 110.338 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.98 28.41 14.42 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.25 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.72 147.12 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.668 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -106.82 150.77 26.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.462 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 23.7 p90 -146.47 168.7 20.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.46 147.03 23.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.021 0.438 . . . . 0.0 110.439 -178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.26 35.07 3.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.602 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -55.22 -38.26 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.698 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.31 -20.77 62.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -127.64 24.26 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.767 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -59.83 141.94 54.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.586 ' HB ' ' HG2' ' A' ' 67' ' ' GLU . 41.9 m -101.14 111.07 62.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.28 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.88 160.7 33.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.766 2.311 . . . . 0.0 112.39 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -66.62 151.79 46.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 41.2 t-20 -69.88 -53.88 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.488 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.48 -156.93 8.14 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.962 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.04 113.52 2.42 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.982 2.455 . . . . 0.0 112.104 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.1 mt -94.01 127.99 42.95 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.678 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.08 103.95 0.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.514 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -82.47 128.5 34.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.558 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.39 -57.52 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.245 0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 178.289 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.834 0.349 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.599 HG21 ' HB ' ' A' ' 83' ' ' VAL . 15.2 t -122.11 -168.54 1.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.3 mmt -106.66 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.543 0.211 . . . . 0.0 110.728 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.9 146.65 22.29 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.925 -0.58 . . . . 0.0 113.665 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 30.9 p -108.69 172.74 6.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -31.26 12.31 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.49 -23.91 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.59 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -61.5 -29.34 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -178.506 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.47 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.888 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.57 -32.35 11.71 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.741 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 ' HA ' ' A' ' 8' ' ' VAL . 48.4 pt -75.8 152.61 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 111.395 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.05 174.28 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.405 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 119.16 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 16.4 m -107.87 156.26 8.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.62 -172.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -96.25 127.11 41.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.168 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.56 122.98 11.03 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.591 2.194 . . . . 0.0 111.967 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -66.89 -32.49 73.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 -178.07 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.763 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.26 -62.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.484 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 31' ' ' TRP . . . -109.05 -152.87 15.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.405 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.4 m -66.9 112.98 4.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CD ' ' HD1' ' A' ' 42' ' ' HIS . 35.9 mt-10 -52.13 -46.23 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.965 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 41.0 tt0 -60.55 -46.05 91.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.462 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 29' ' ' SER . 71.3 m -65.63 -30.25 70.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.685 0.279 . . . . 0.0 111.226 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 89.9 mt -67.7 -22.77 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.9 ptmt -73.0 -20.36 61.03 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.183 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.598 HG23 ' HG3' ' A' ' 26' ' ' LYS . 17.8 pt -125.62 -5.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.91 47.14 9.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.754 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 47.1 t -101.27 141.62 22.97 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 173.1 14.15 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.425 2.083 . . . . 0.0 112.12 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 20' ' ' GLY . 15.0 p90 -149.56 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.212 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.8 t -92.36 -68.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 39.5 m80 -126.74 146.73 50.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 0.0 110.285 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 88.0 mt -96.96 134.15 40.7 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.53 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.7 mtt180 -127.58 118.21 23.5 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 92' ' ' THR . 12.4 tt -96.04 124.12 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.055 0.931 . . . . 0.0 109.808 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.4 t -72.79 112.94 9.29 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.749 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 10.2 mmm180 -72.92 8.69 1.43 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -171.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 m -107.94 -35.87 6.51 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.616 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.27 0.71 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.539 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 74.56 10.98 82.97 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.866 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.4 ' HD1' ' CD ' ' A' ' 22' ' ' GLU . 64.7 m-70 -94.76 143.06 26.75 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.748 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.02 124.92 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.112 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.96 150.88 18.15 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.382 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 p -73.05 126.32 29.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 26.3 p -68.69 177.12 2.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.101 -174.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -73.68 -6.36 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.726 179.062 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -74.13 -22.66 59.36 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 t -90.73 147.6 36.54 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.19 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.56 -9.95 22.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.845 2.364 . . . . 0.0 112.627 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -80.61 -57.75 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.941 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 35.3 mtmt 58.46 41.37 22.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.649 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -73.23 -24.1 60.45 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.37 84.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HE1' ' A' ' 79' ' ' TYR . 17.9 p -68.0 -45.94 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -66.63 -24.89 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.589 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.07 -34.52 78.23 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.869 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.79 -44.92 91.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.66 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -64.35 -26.87 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.869 0.366 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -56.78 3.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.989 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -92.1 -21.34 20.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.4 41.06 31.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.996 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.67 101.52 43.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.7 Cg_endo -81.45 -10.54 12.11 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.908 2.405 . . . . 0.0 115.285 -166.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.65 126.96 74.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.545 0.688 . . . . 0.0 112.397 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' OH ' ' A' ' 79' ' ' TYR . 31.7 pt -128.0 142.86 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.984 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 30.9 tt0 -101.07 145.93 28.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.29 100.24 1.14 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 174.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.715 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.3 t80 -83.09 -39.46 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.934 0.397 . . . . 0.0 110.58 -173.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.574 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 17.5 t70 -76.89 -52.8 1.91 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.802 178.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 31.7 Cg_exo -59.42 119.48 6.74 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.697 1.598 . . . . 0.0 111.961 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 23.1 Cg_exo -66.06 -1.8 5.83 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.251 2.634 . . . . 0.0 112.69 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 35.0 mt-10 -62.1 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.64 79.78 0.65 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.966 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 29.6 p-90 -138.29 165.63 26.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.823 0.344 . . . . 0.0 111.077 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.32 136.32 9.75 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.831 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -104.83 132.33 51.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.0 t -115.23 117.35 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' OH ' HD13 ' A' ' 66' ' ' ILE . 86.8 m-85 -58.07 -67.24 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -63.09 -21.35 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.81 -34.89 20.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 64.45 27.23 13.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.665 -175.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.599 ' HB ' HG21 ' A' ' 2' ' ' THR . 28.1 m -114.71 142.08 28.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.513 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.2 ttm -108.79 113.22 25.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -110.81 152.49 26.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.89 135.09 43.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.21 21.01 4.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.214 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -59.69 -33.8 72.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 111.916 -171.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.05 -20.15 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.174 0.511 . . . . 0.0 110.746 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 90' ' ' ARG . 44.7 mtt180 -122.92 22.58 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.0 ptm -84.2 167.21 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.317 0.58 . . . . 0.0 112.017 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.48 HG21 HD13 ' A' ' 36' ' ' ILE . 27.9 m -87.07 127.68 58.52 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.479 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_exo -66.41 136.42 43.21 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.81 2.34 . . . . 0.0 111.887 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.715 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 42.2 p-80 -78.64 129.56 34.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.21 6.23 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.533 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.36 173.75 37.22 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.72 109.54 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.628 2.219 . . . . 0.0 111.434 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 64.3 mt -80.65 131.21 61.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.365 -176.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 15.2 Cg_exo -68.8 107.9 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.825 2.35 . . . . 0.0 111.989 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -104.11 111.59 24.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -83.72 -25.66 30.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.082 -171.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.523 -175.869 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.537 HG21 ' HB ' ' A' ' 83' ' ' VAL . 17.6 m -149.07 145.15 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.815 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.0 ttm -65.36 130.16 42.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.293 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 122.67 30.21 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.654 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 p -71.37 169.13 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -57.61 -26.08 61.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 33.2 m170 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.3 176.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.83 -27.34 40.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-O 121.112 0.482 . . . . 0.0 110.393 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.13 -3.84 41.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.8 -3.55 39.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.863 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 pt -88.07 151.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -117.99 167.49 11.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 m -80.38 99.43 7.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.433 0.635 . . . . 0.0 109.681 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -95.8 166.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.805 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 m -114.37 129.59 24.75 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.235 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.47 131.8 48.37 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.099 2.533 . . . . 0.0 112.927 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.631 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 1.2 m -61.89 -40.65 96.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.62 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 -179.08 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.536 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 19' ' ' LEU . 6.2 mp -78.53 -47.99 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -111.66 -165.0 17.85 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.716 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.733 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 42.8 t -78.85 104.15 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.99 -43.02 50.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.533 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 45.4 tt0 -52.88 -57.4 10.39 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.97 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 27.9 p -70.39 -28.26 64.95 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.199 -0.313 . . . . 0.0 111.146 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.4 -28.18 66.68 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 27' ' ' ILE . 20.2 ptmt -69.05 -23.84 64.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -118.93 2.43 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 0.0 111.232 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.39 46.86 61.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.339 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.764 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 43.8 t -95.82 123.6 55.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 12.7 Cg_exo -69.18 129.59 18.49 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 0.0 112.349 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.437 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 21.0 p90 -94.77 161.35 14.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.275 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.76 -51.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.158 0.504 . . . . 0.0 109.821 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' HB3' ' NH2' ' A' ' 35' ' ' ARG . 87.5 m-70 -138.37 150.49 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.347 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' HA2' ' A' ' 20' ' ' GLY . 89.6 mt -125.79 135.45 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.584 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -127.14 140.12 52.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.014 0.435 . . . . 0.0 110.343 175.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -102.74 124.8 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.75 109.58 7.37 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.358 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.16 1.87 3.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.134 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -95.86 -54.64 3.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.06 0.457 . . . . 0.0 111.177 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.5 -16.85 14.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.105 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.01 13.8 57.19 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.62 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.631 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 18.7 t60 -91.09 132.75 35.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.353 0.576 . . . . 0.0 110.479 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.9 139.91 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.536 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.75 150.81 22.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.121 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 8.7 p -73.59 148.65 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.9 175.63 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.794 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.0 p-10 -70.01 -20.35 63.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.82 -24.24 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.355 0.598 . . . . 0.0 110.157 175.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 m -86.74 148.94 47.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.492 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.56 4.23 0.88 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.246 2.63 . . . . 0.0 114.435 -170.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.8 m-70 -109.86 -27.57 9.21 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.344 . . . . 0.0 111.695 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 44.0 mtmt 49.62 41.63 21.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.043 0.449 . . . . 0.0 110.757 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -69.31 -21.9 63.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.311 -171.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.78 -46.56 30.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.327 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 p -72.05 -45.31 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.34 -39.57 67.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.812 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.86 -42.71 97.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.269 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.75 -42.02 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -64.92 -27.7 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.47 -44.64 11.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -98.07 -31.95 11.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.55 35.47 13.87 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.797 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -103.21 98.73 12.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 97.7 Cg_endo -84.05 7.14 5.36 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.977 2.451 . . . . 0.0 115.077 -166.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.7 124.91 60.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.396 0.617 . . . . 0.0 112.019 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 35' ' ' ARG . 38.6 pt -126.33 141.31 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.935 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 36' ' ' ILE . 37.1 tt0 -103.05 143.87 32.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.162 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 71' ' ' PRO . . . -67.52 104.71 1.19 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.644 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -93.63 -31.26 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.529 0.204 . . . . 0.0 111.051 -175.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.561 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.9 p-10 -79.28 -34.63 0.94 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.907 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 33.8 Cg_endo -99.01 109.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.357 2.038 . . . . 0.0 112.084 172.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.76 34.19 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 123.323 2.682 . . . . 0.0 113.056 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.8 mt-10 -78.91 -29.21 44.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.336 0.588 . . . . 0.0 109.789 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.86 76.8 1.19 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 57.3 p-90 -152.08 158.62 43.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 177.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.6 145.12 16.8 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.926 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -109.23 132.32 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -112.11 110.29 20.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 74.8 m-85 -52.21 -60.13 3.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 81' ' ' ASP . 19.0 m -66.99 -20.53 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -90.57 -31.9 16.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 110.326 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 68.81 20.84 7.91 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.778 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' HB ' HG21 ' A' ' 2' ' ' THR . 33.4 m -113.73 145.92 18.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.903 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.0 ttp -110.5 107.96 17.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.56 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.496 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.0 p90 -103.28 167.59 9.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.29 132.41 33.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.098 0.475 . . . . 0.0 111.448 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.0 mt -126.7 27.06 6.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.98 -15.26 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.604 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -103.48 -5.86 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.514 0.197 . . . . 0.0 111.28 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -132.64 8.48 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.623 -176.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -60.24 145.07 48.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.299 0.571 . . . . 0.0 112.17 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.9 m -71.42 132.74 85.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.299 -176.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.5 Cg_exo -66.55 117.45 4.74 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.658 2.239 . . . . 0.0 111.58 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -61.84 141.76 57.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.45 -1.09 57.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.54 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.17 179.15 42.88 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.161 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.92 115.7 3.84 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.253 2.635 . . . . 0.0 111.77 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.94 127.88 67.81 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 113.47 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.685 2.256 . . . . 0.0 111.733 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.89 106.65 18.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.31 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -84.41 -29.05 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 177.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.178 -179.313 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.767 0.317 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 p -115.02 -174.9 2.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.471 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.9 tpp -85.04 -38.61 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.72 18.32 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.743 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.8 p -166.8 173.71 9.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 16.0 ptt-85 -56.46 -29.49 61.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.852 0.358 . . . . 0.0 111.88 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -64.1 -24.61 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.515 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -62.2 -28.25 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.76 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.11 0.85 8.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.703 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.89 7.45 13.13 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.099 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 8' ' ' VAL . 32.1 pt -101.58 146.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.225 0.513 . . . . 0.0 111.134 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 13.5 ptm180 -132.54 172.49 12.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.83 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -80.36 99.63 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 14' ' ' VAL . 6.9 m -91.14 157.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.236 -171.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m -83.17 123.89 76.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.241 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.9 Cg_exo -61.8 119.21 6.22 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.678 2.252 . . . . 0.0 112.107 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -75.77 -28.43 58.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.9 162.44 35.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.963 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' HA3' ' A' ' 96' ' ' GLY . 86.9 mt -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -147.89 -128.23 1.77 Allowed Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.335 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -88.54 105.07 17.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -38.65 84.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.09 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 44.0 tt0 -67.82 -46.01 73.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 29' ' ' SER . 83.2 m -58.61 -33.54 70.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.01 -15.89 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.1 ptmt -77.69 -22.43 50.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 -178.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 26' ' ' LYS . 26.6 pt -123.23 1.04 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.597 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.19 37.84 54.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.279 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 36.8 t -88.49 129.7 48.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.651 0.262 . . . . 0.0 110.425 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.43 139.39 20.67 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.522 2.148 . . . . 0.0 112.221 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 34' ' ' LEU . 15.0 p90 -107.97 174.38 5.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.626 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 40.2 t -104.68 -59.04 3.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.35 157.81 45.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.68 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' HA2' ' A' ' 20' ' ' GLY . 91.7 mt -128.04 146.99 50.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.812 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.751 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -135.4 134.34 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.138 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.7 tt -97.61 122.15 48.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.862 0.839 . . . . 0.0 109.322 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.1 109.19 9.56 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.144 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.1 6.41 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 m -102.07 -33.86 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.484 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.53 -17.64 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.841 -173.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.99 9.1 59.88 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.507 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -88.21 127.53 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.259 -0.553 . . . . 0.0 109.889 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.3 t -95.19 136.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.78 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.51 161.99 27.33 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.932 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 28.3 p -76.14 145.2 40.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 74.1 m -72.73 -178.78 2.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.847 0.356 . . . . 0.0 111.354 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.21 -32.88 73.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.98 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.626 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -56.82 -32.02 65.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.822 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 15.3 m -86.02 136.61 36.0 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.142 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.45 -26.0 60.89 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.482 2.788 . . . . 0.0 114.302 -171.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -80.13 -14.06 58.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.27 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 37.59 54.68 1.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -76.18 -16.0 59.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.141 -0.349 . . . . 0.0 111.321 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.751 ' HA ' ' CZ ' ' A' ' 35' ' ' ARG . . . -69.18 -47.5 64.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.283 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -76.08 -49.81 16.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.572 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -62.39 -36.92 83.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.64 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -63.33 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.781 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.49 -44.84 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -70.72 -27.53 64.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.29 -43.36 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.183 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.3 p -103.56 -37.1 7.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.71 44.71 4.79 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.362 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -114.91 99.07 51.6 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.4 Cg_endo -83.79 0.82 9.19 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.963 2.442 . . . . 0.0 115.026 -167.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 11' ' ' ILE . 42.5 mt -125.66 130.54 72.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.57 0.7 . . . . 0.0 112.058 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG21 ' HE ' ' A' ' 35' ' ' ARG . 42.9 pt -131.59 155.26 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.196 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 38.7 tt0 -117.21 142.68 46.74 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.97 102.45 0.85 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.844 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.535 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.2 t80 -88.18 -30.85 19.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 0.0 110.434 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.522 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -79.32 -54.93 0.94 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.36 176.71 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 70' ' ' ASP . 41.7 Cg_endo -68.43 119.8 6.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.605 1.537 . . . . 0.0 111.899 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.68 36.99 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.166 2.577 . . . . 0.0 113.0 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.7 mt-10 -98.83 -37.56 9.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.55 75.47 0.89 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.022 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 41.0 p-90 -139.38 159.76 41.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.754 0.312 . . . . 0.0 110.637 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.65 141.11 14.81 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.283 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -112.84 135.0 54.09 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 5.8 t -112.28 111.75 22.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 78.3 m-85 -52.74 -63.05 1.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -170.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.64 -21.55 27.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.29 -37.8 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.025 0.44 . . . . 0.0 110.121 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 66.65 22.05 10.52 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.638 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 81' ' ' ASP . 32.8 m -105.76 137.84 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.07 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.0 ttm -107.51 129.63 54.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.806 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -129.68 151.06 50.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 143.54 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.165 0.507 . . . . 0.0 110.643 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -126.46 24.04 6.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.656 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -53.93 -31.0 48.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.53 -20.8 39.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.752 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 90' ' ' ARG . 50.7 mtt180 -118.46 12.02 13.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.576 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.9 ptm -65.13 142.71 58.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.241 0.543 . . . . 0.0 112.299 -168.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 4.2 m -84.47 120.4 74.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.401 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 92' ' ' THR . 29.2 Cg_endo -63.91 134.76 44.78 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.384 2.056 . . . . 0.0 111.449 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.535 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 9.3 p80 -72.78 125.09 26.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.61 13.93 7.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.683 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.495 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -165.92 168.19 39.58 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.803 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.53 93.14 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.001 2.467 . . . . 0.0 111.07 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 48.1 mt -75.85 118.11 68.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -175.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 13.0 Cg_exo -69.65 104.91 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.938 2.425 . . . . 0.0 112.737 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 102' ' ' VAL . 12.3 tpp85 -80.52 118.34 22.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.38 -29.7 16.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.496 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 100' ' ' ARG . 7.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.371 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.492 HG23 ' HB3' ' A' ' 85' ' ' PHE . 10.4 t -135.89 -177.85 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.3 mtp -83.44 -21.26 32.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.994 0.426 . . . . 0.0 110.438 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.8 -154.87 21.51 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.472 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.6 p -149.04 168.52 22.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.41 -23.13 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.52 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 31.4 m170 -58.33 -25.62 62.15 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 174.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.85 -27.33 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.042 -176.598 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -6.22 35.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.717 0.294 . . . . 0.0 111.608 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.05 -1.08 45.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.737 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 35.0 pt -101.28 152.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.686 0.279 . . . . 0.0 110.541 178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 -175.71 3.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.178 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 m -81.82 101.46 10.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 37' ' ' CYS . 27.5 m -95.84 165.16 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 m -121.34 127.99 25.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.881 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 95' ' ' ASN . 57.8 Cg_endo -72.74 142.34 35.5 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.48 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -111.42 8.21 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.13 145.82 27.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.37 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' HA3' ' A' ' 96' ' ' GLY . 83.0 mt -69.23 -49.3 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.081 0.467 . . . . 0.0 110.435 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.32 -142.04 4.94 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.336 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 53.9 t -74.48 105.12 5.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.351 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -46.4 -44.92 17.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.797 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp10 -61.19 -51.18 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.244 0.545 . . . . 0.0 110.648 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 29' ' ' SER . 61.2 m -66.22 -33.56 76.03 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.0 -21.56 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.8 ptmt -72.97 -23.9 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.166 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.576 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.71 -10.46 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.44 52.3 3.8 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.266 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 21.6 t -105.87 143.07 26.14 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.21 162.67 39.99 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.528 2.152 . . . . 0.0 112.542 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -145.13 163.78 33.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD2' ' A' ' 33' ' ' HIS . 47.9 t -89.15 -68.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.273 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.641 ' CD2' HG12 ' A' ' 32' ' ' VAL . 99.1 m-70 -139.77 166.89 23.4 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 2.6 mm? -111.69 147.16 36.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 0.0 111.571 -174.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 99.6 mtt180 -125.63 135.76 52.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.766 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -125.9 138.78 53.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' H ' ' A' ' 39' ' ' THR . 72.9 m -65.49 147.47 53.37 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.218 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.593 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 8.3 mmm180 -88.26 6.49 36.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.445 0.64 . . . . 0.0 109.492 168.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.459 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -102.02 -67.77 0.85 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.458 -179.32 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.31 -34.31 11.12 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.43 10.9 55.28 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.422 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -82.46 130.53 35.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.72 144.83 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.6 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.14 171.75 30.06 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 31.5 p -89.78 155.75 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.345 0.573 . . . . 0.0 110.292 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 78.3 m -58.7 160.17 5.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 175.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.41 -5.0 45.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.04 -44.91 87.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -71.7 131.22 86.23 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.79 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -42.75 -39.2 7.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 124.311 3.341 . . . . 0.0 114.71 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -42.2 76.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.564 0.221 . . . . 0.0 111.509 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt 48.14 53.03 12.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.392 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -69.14 -27.99 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.207 -174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.28 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.405 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -72.26 -40.47 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.182 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.23 -47.73 82.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.155 0.502 . . . . 0.0 109.786 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -64.48 -36.2 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.024 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.21 -46.37 85.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.591 0.234 . . . . 0.0 110.376 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.79 0.329 . . . . 0.0 111.091 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.28 26.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.127 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -108.6 -6.95 15.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.39 54.52 31.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.382 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -118.22 91.89 41.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.5 -15.58 13.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.012 2.475 . . . . 0.0 113.911 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 7' ' ' HIS . 63.9 mt -105.59 119.96 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.745 0.783 . . . . 0.0 111.525 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.452 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 24.6 pt -121.94 168.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.03 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -135.16 151.59 50.81 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.99 101.31 0.64 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.884 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 52.0 t80 -80.72 -31.54 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.224 0.535 . . . . 0.0 110.917 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 18.1 t70 -78.87 -51.35 1.37 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 4.2 Cg_exo -78.02 119.84 4.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.117 1.878 . . . . 0.0 111.793 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.1 Cg_exo -74.71 37.03 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.303 2.669 . . . . 0.0 112.964 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -90.49 -50.12 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.221 0.534 . . . . 0.0 110.661 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.37 69.83 1.02 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.062 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -133.64 146.48 50.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.33 151.71 18.34 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.67 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.442 ' HB3' HG13 ' A' ' 66' ' ' ILE . 61.0 t-105 -125.39 134.08 52.28 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 11.1 t -109.48 102.86 11.7 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -47.76 -53.57 14.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.479 HG23 ' OD1' ' A' ' 81' ' ' ASP . 20.2 m -68.09 -21.3 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 8.1 m-20 -96.31 -31.63 12.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.601 0.238 . . . . 0.0 110.709 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 69.57 23.05 6.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.807 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.62 145.07 18.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttm -108.01 130.35 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.648 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB3' HG23 ' A' ' 2' ' ' THR . 24.4 p90 -130.62 161.3 31.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.877 0.37 . . . . 0.0 111.434 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.01 128.0 33.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.522 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.26 18.23 6.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.298 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 t -61.65 -24.12 66.51 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -171.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -79.69 -11.23 59.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.002 0.43 . . . . 0.0 110.957 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -127.6 4.99 6.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 -176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 24.8 ptm -52.9 141.84 20.84 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.954 0.784 . . . . 0.0 113.059 -166.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.0 m -102.2 99.07 11.6 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.992 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 91' ' ' MET . 15.2 Cg_exo -69.02 158.04 59.48 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.674 2.25 . . . . 0.0 111.457 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 p-80 -74.95 136.17 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.417 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . 35.3 p-10 -72.81 -16.17 61.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.068 -172.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.509 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -146.49 164.95 28.38 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.023 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.12 113.58 2.46 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.636 2.224 . . . . 0.0 111.505 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.7 mt -80.88 129.32 68.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.12 123.97 14.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.803 2.335 . . . . 0.0 111.906 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -90.67 97.82 11.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.751 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -82.16 -47.55 12.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.909 0.385 . . . . 0.0 110.057 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.228 -179.757 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 110.531 -0.174 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -21.89 11.22 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.97 -30.34 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.672 0.272 . . . . 0.0 111.408 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.1 t -67.62 -29.43 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 110.443 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.95 -12.62 60.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.85 7.21 23.83 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.971 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 8' ' ' VAL . 48.2 pt -100.62 147.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.154 0.477 . . . . 0.0 110.522 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.31 -175.07 3.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.546 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 50.6 m -86.72 121.82 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.803 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.4 -174.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.523 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -124.2 127.47 25.32 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 27.1 Cg_exo -63.25 147.82 93.54 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.083 2.522 . . . . 0.0 112.412 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 10.6 t -80.08 -31.01 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . . . -140.48 -170.85 3.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.726 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' HA3' ' A' ' 96' ' ' GLY . 35.1 mt -91.15 7.18 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.333 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -178.9 -155.86 15.76 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.053 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 24' ' ' CYS . 42.3 t -69.72 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 18' ' ' ALA . 19.3 mp0 -55.87 -39.88 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.18 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.08 -43.15 93.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HG ' ' HG ' ' A' ' 21' ' ' CYS . 69.0 m -67.91 -33.07 73.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.976 0.417 . . . . 0.0 110.476 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.09 -23.89 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.4 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -70.83 -20.91 62.51 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 110.483 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.23 8.25 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.85 44.3 96.07 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.443 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 m -113.85 145.5 33.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.93 167.69 26.66 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.916 2.41 . . . . 0.0 112.827 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -134.78 166.58 22.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.83 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' CD2' ' A' ' 33' ' ' HIS . 43.1 t -90.55 -64.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.5 m-70 -142.62 163.78 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 94.4 mt -120.68 139.52 52.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.482 . . . . 0.0 112.086 -171.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' HD13 ' A' ' 66' ' ' ILE . 99.2 mtt180 -124.4 120.48 32.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.534 175.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.5 tt -110.94 137.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.96 148.15 52.25 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.604 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.2 mmm180 -87.66 23.65 1.91 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.221 0.534 . . . . 0.0 109.672 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -129.17 -73.07 0.58 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.407 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -85.1 -16.84 39.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.713 0.292 . . . . 0.0 111.436 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' PRO . . . 77.08 13.58 83.51 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.34 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -90.07 142.01 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 44' ' ' GLY . 3.6 t -97.44 166.37 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.457 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.402 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -170.99 147.81 10.73 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.606 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 4.8 p -72.93 145.51 46.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.864 0.332 . . . . 0.0 110.217 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 8.6 p -64.39 169.98 4.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.718 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.4 p-10 -71.82 -16.68 62.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.447 . . . . 0.0 110.06 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 34.0 t70 -65.67 -26.43 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.709 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -84.49 140.91 38.76 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.217 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.81 -19.84 69.65 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.603 2.202 . . . . 0.0 112.89 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.666 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.2 t60 -75.59 -35.85 60.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 98.1 mttt 49.81 58.88 4.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.46 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -77.36 -36.85 53.26 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.837 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.96 86.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.73 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 17.7 p -75.31 -46.94 30.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.543 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.75 -38.28 90.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -63.54 -41.83 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.487 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -56.62 -48.1 78.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.783 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.6 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.22 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -107.37 -30.35 8.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.63 45.73 5.68 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.986 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -116.06 93.3 38.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 89.5 Cg_endo -78.66 -18.1 12.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.905 2.403 . . . . 0.0 114.352 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 11' ' ' ILE . 51.3 mt -106.87 121.77 60.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.367 0.603 . . . . 0.0 111.571 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.19 155.59 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.711 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -121.59 145.41 48.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.716 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.67 107.39 2.17 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.29 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.614 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.6 t80 -92.51 -44.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.732 -176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 1.4 t70 -60.86 -47.8 94.64 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 43.4 Cg_endo -98.87 91.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.628 2.219 . . . . 0.0 111.08 165.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 54.63 3.62 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.994 2.462 . . . . 0.0 112.923 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.8 mt-10 -69.44 -36.91 77.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 58.1 0.86 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.27 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 55.8 p-90 -137.97 155.71 48.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 110.41 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.41 126.63 6.15 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.713 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 41.1 t-105 -103.87 129.47 51.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.6 t -108.26 105.39 15.08 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -50.83 -50.15 57.18 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.9 m -67.78 -21.78 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.8 m-20 -98.76 -32.63 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.542 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 69.82 18.95 7.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.565 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.7 m -100.8 140.04 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.624 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.508 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 37.9 ttp -112.48 108.88 18.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.903 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 44.3 p90 -108.84 179.94 4.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.74 139.84 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.397 0.617 . . . . 0.0 112.244 -173.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.7 mt -137.77 41.77 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.611 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 t -63.22 -35.98 82.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.251 -170.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.31 -10.21 21.52 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.082 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.25 -2.83 26.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.463 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.0 ptp -49.52 139.86 11.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.991 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 13.6 m -69.94 125.02 91.78 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.27 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 25.4 Cg_exo -63.54 155.99 59.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.87 2.38 . . . . 0.0 111.596 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.614 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 25.1 p-80 -81.59 130.41 35.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.163 0.506 . . . . 0.0 110.783 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -92.35 2.32 56.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.133 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.462 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . 169.04 -172.88 43.47 Favored Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.92 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -88.19 113.83 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.001 2.467 . . . . 0.0 111.957 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 30.3 mt -78.49 120.41 80.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.671 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 10.8 Cg_exo -71.19 103.4 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.871 2.38 . . . . 0.0 112.509 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -81.0 106.05 12.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.03 -43.43 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.016 -0.992 . . . . 0.0 111.424 -177.1 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 8' ' ' VAL . 26.4 p . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -63.68 -15.79 59.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -62.11 -27.04 68.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.847 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.7 t -67.0 -29.39 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.397 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.7 50.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.708 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.41 -19.26 14.38 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.759 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 8' ' ' VAL . 41.4 pt -81.92 152.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.008 0.432 . . . . 0.0 110.881 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.46 177.64 7.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 -178.41 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -82.17 108.92 16.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.0 m -100.38 176.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.056 -170.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.5 m -99.99 126.15 37.65 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.82 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 20.2 Cg_exo -65.74 110.88 1.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.561 2.174 . . . . 0.0 111.78 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -70.67 -16.0 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.197 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.64 161.71 37.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.55 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' A' ' 96' ' ' GLY . 2.8 mm? -89.69 -42.82 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 109.876 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -133.77 -148.0 5.77 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 176.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 100.0 5.85 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -36.35 73.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.409 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.3 tt0 -63.33 -42.15 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 29' ' ' SER . 95.9 m -67.96 -35.08 77.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.943 0.401 . . . . 0.0 110.419 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.98 -16.12 63.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.989 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HG3' HG23 ' A' ' 27' ' ' ILE . 35.6 pttt -81.78 -22.43 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.711 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.567 HG23 ' HG3' ' A' ' 26' ' ' LYS . 10.0 pt -127.59 6.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 45.85 33.52 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.279 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.508 ' OG ' HG13 ' A' ' 27' ' ' ILE . 49.8 m -106.22 153.04 40.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.29 172.27 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.795 2.33 . . . . 0.0 113.099 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.9 p90 -151.14 155.83 39.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.737 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 102' ' ' VAL . 21.2 t -97.94 -57.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.352 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -131.84 164.39 26.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.456 HD13 ' HA2' ' A' ' 20' ' ' GLY . 77.3 mt -133.4 130.26 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.102 -174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.686 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 19.1 mtm180 -126.23 125.43 42.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.085 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tt -105.8 141.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.701 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' H ' ' A' ' 39' ' ' THR . 63.7 m -65.41 142.38 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.664 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -87.55 6.63 33.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.566 0.698 . . . . 0.0 109.234 168.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.48 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -103.85 -72.28 0.71 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.218 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 p -92.84 -4.15 53.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.889 -173.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 68.94 15.43 69.28 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.846 -0.693 . . . . 0.0 113.938 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.61 136.82 32.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.248 -0.56 . . . . 0.0 109.945 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 t -93.82 139.08 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.433 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.98 142.96 14.52 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.975 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.0 p -72.65 139.99 47.68 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.686 ' SG ' ' HG3' ' A' ' 35' ' ' ARG . 77.1 m -62.43 171.84 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.677 0.751 . . . . 0.0 112.596 -173.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.2 p-10 -75.93 -4.64 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.723 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.564 ' OD1' ' HB2' ' A' ' 46' ' ' CYS . 3.1 p-10 -88.45 -8.85 54.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.562 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 26.6 m -97.33 155.7 37.06 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.788 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 49' ' ' SER . 11.3 Cg_endo -54.76 -30.3 66.49 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.507 2.805 . . . . 0.0 114.318 -173.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -88.35 -32.99 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 52.3 mtmt 53.03 36.08 21.18 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.2 0.524 . . . . 0.0 110.586 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -66.07 -27.66 68.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.561 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.9 92.58 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.2 p -75.43 -44.59 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.95 0.405 . . . . 0.0 110.395 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -58.06 -43.09 86.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.332 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -57.86 -43.93 86.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.977 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -57.81 -48.65 79.11 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.183 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.91 -26.5 66.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.727 0.299 . . . . 0.0 111.277 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.21 6.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.72 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -84.42 -30.28 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.53 45.47 6.86 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.997 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -114.64 93.96 35.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 72.5 Cg_endo -77.58 -18.9 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.704 2.27 . . . . 0.0 113.907 -171.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 11' ' ' ILE . 45.0 mt -105.1 124.07 59.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.806 0.812 . . . . 0.0 111.872 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.449 HD12 ' NE ' ' A' ' 35' ' ' ARG . 12.2 pt -131.2 161.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 39.3 tt0 -128.02 149.39 50.39 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.05 106.23 1.59 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.901 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -41.84 14.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 110.632 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -79.96 -37.43 1.1 Allowed Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.902 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 8.3 Cg_endo -89.49 117.46 0.76 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.225 1.95 . . . . 0.0 111.821 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 8.0 Cg_exo -73.29 28.15 0.3 Allowed 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.369 2.713 . . . . 0.0 113.509 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 18.2 mm-40 -79.85 -28.63 40.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.45 70.91 1.14 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.418 ' HD1' ' HB2' ' A' ' 73' ' ' GLU . 62.6 p-90 -132.37 152.29 51.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.23 136.8 12.54 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.963 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -116.28 135.28 54.03 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 8.6 t -115.93 104.48 11.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -45.96 -52.58 11.44 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.771 0.669 . . . . 0.0 112.759 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 81' ' ' ASP . 30.3 m -70.52 -20.28 22.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 1.4 m-20 -97.95 -34.47 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 64.75 26.72 13.06 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.843 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.21 137.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.98 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.9 ttp -106.96 127.66 53.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.014 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 27.3 p90 -125.38 162.85 23.87 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.67 141.54 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.012 0.434 . . . . 0.0 110.236 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.1 mt -130.19 10.19 5.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.981 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 91' ' ' MET . 22.9 t -57.14 -23.68 49.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.63 -22.25 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.376 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.4 mtt85 -139.49 18.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.071 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.535 ' HB3' ' HA ' ' A' ' 88' ' ' SER . 24.5 ptm -64.42 147.68 52.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -166.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -100.25 101.51 14.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.741 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.41 158.66 29.28 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.395 2.063 . . . . 0.0 112.562 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -74.58 110.66 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.511 . . . . 0.0 109.967 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -80.84 -22.24 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.639 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 19' ' ' LEU . . . -107.79 160.98 13.7 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.519 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -73.97 98.3 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.082 2.522 . . . . 0.0 111.518 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 34' ' ' LEU . 61.4 mt -81.19 123.85 81.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.806 -178.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.04 116.98 3.64 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 111.573 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.96 106.15 12.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.933 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -86.38 -21.7 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 32' ' ' VAL . 5.2 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.727 0.298 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.81 -31.35 38.3 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.292 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -61.37 -24.25 66.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.611 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.88 -27.46 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.994 0.426 . . . . 0.0 110.981 -177.019 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.39 -1.34 32.96 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.127 -0.358 . . . . 0.0 111.365 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.4 45.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.31 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 8' ' ' VAL . 22.9 pt -100.56 153.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 110.587 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -129.43 167.65 17.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.868 177.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.43 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 9.9 m -81.28 102.87 10.68 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.46 0.647 . . . . 0.0 109.749 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.68 -179.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.247 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.7 m -115.88 135.84 22.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.468 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB2' ' HB2' ' A' ' 95' ' ' ASN . 37.1 Cg_exo -60.71 120.94 8.95 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.184 . . . . 0.0 112.481 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.8 t -74.28 -26.08 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.32 15.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.41 -46.28 8.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.328 0.585 . . . . 0.0 109.623 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.05 -164.49 25.78 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.527 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 53.0 t -63.61 118.94 8.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.2 -18.43 58.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.389 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.8 tt0 -91.36 -55.94 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 176.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 68.9 m -57.74 -29.24 64.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -174.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 79.9 mt -60.43 -24.4 65.15 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.0 ptmt -70.34 -29.54 66.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.614 0.245 . . . . 0.0 111.292 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 26' ' ' LYS . 24.6 pt -113.45 -9.8 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.75 0.31 . . . . 0.0 111.357 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.25 39.31 52.48 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.232 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -88.51 145.97 36.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.586 0.231 . . . . 0.0 110.676 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.23 159.05 54.89 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.771 2.314 . . . . 0.0 112.744 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -143.44 161.08 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.041 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.46 -50.06 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.561 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -141.14 157.96 44.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 94.9 mt -127.64 137.2 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 -176.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -135.45 132.31 37.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.035 0.445 . . . . 0.0 110.414 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 HG21 ' A' ' 92' ' ' THR . 15.1 tt -96.51 131.25 43.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.797 0.808 . . . . 0.0 109.831 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.2 t -75.24 112.8 11.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.635 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.17 5.92 1.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -106.19 -37.77 6.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.648 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -134.18 4.82 3.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.859 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.55 11.9 80.29 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.918 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -84.11 130.0 34.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.89 126.99 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.694 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.69 156.98 22.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.993 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.98 149.18 32.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.682 0.277 . . . . 0.0 110.293 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.97 155.94 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.051 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 9.2 p-10 -63.07 -18.89 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.729 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -39.62 86.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.291 0.567 . . . . 0.0 110.195 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -74.71 142.2 76.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.757 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.57 -30.53 21.89 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.938 3.092 . . . . 0.0 114.085 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -64.92 -42.42 94.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.357 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 61.6 mttm 51.45 37.05 18.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.2 -16.94 63.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.58 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.94 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.658 0.266 . . . . 0.0 110.837 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -69.12 -39.48 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.57 -43.6 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.618 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -59.72 -37.38 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.749 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -71.41 -30.98 66.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.51 -46.48 39.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.313 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.3 p -101.54 -21.53 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.7 44.7 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.723 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -117.89 98.46 51.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.52 -4.54 12.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.2 2.6 . . . . 0.0 115.034 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 11' ' ' ILE . 42.3 mt -126.79 129.72 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.616 0.722 . . . . 0.0 111.991 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.515 HD13 ' OH ' ' A' ' 79' ' ' TYR . 22.9 pt -127.85 173.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.613 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' HH11 ' A' ' 38' ' ' ARG . 35.2 tt0 -134.08 143.26 47.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.289 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.88 105.83 1.3 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -93.43 -38.71 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.568 0.223 . . . . 0.0 111.164 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.6 p-10 -72.06 -37.4 4.88 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 96.7 Cg_endo -87.41 130.41 2.83 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.207 1.271 . . . . 0.0 112.133 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.99 42.84 0.54 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.26 2.64 . . . . 0.0 112.664 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.21 -59.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.38 77.93 1.38 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.054 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -143.18 155.44 44.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 110.677 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.81 146.65 18.82 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.269 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -120.12 130.28 54.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.8 t -109.01 114.84 28.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.515 ' OH ' HD13 ' A' ' 66' ' ' ILE . 88.5 m-85 -54.64 -64.46 0.82 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.19 -21.79 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -86.29 -36.4 19.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.436 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.77 22.63 10.27 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.536 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.4 m -109.04 139.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.602 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.6 ttm -107.16 132.97 52.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.023 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -132.09 153.86 50.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.168 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.92 136.09 37.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.35 . . . . 0.0 110.702 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.19 16.53 6.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.639 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -61.33 -25.69 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.57 -171.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.17 -22.52 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.295 0.569 . . . . 0.0 110.988 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -139.25 32.81 2.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.578 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 111.867 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 36' ' ' ILE . 4.0 m -91.45 120.93 68.13 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.083 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 17.0 Cg_exo -67.17 162.73 37.1 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.668 2.245 . . . . 0.0 111.815 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -76.63 148.8 36.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.56 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 65.4 t30 -92.88 9.67 34.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.572 . . . . 0.0 110.503 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.76 -175.42 23.02 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.796 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.95 117.65 4.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.857 2.371 . . . . 0.0 111.895 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.87 129.87 34.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.2 107.54 1.38 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.59 2.193 . . . . 0.0 112.347 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -89.97 135.67 33.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.969 177.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -107.57 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.55 -177.714 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.4 p . . . . . 0 N--CA 1.456 -0.162 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -55.36 -25.46 35.24 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.537 ' HB3' HD11 ' A' ' 65' ' ' ILE . 36.1 m80 -60.25 -25.77 65.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.34 -27.58 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.406 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.26 0.21 22.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.2 0.18 29.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.691 HG12 ' O ' ' A' ' 8' ' ' VAL . 17.1 pt -97.1 152.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.792 0.296 . . . . 0.0 110.572 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -129.77 167.77 17.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.955 0.407 . . . . 0.0 110.985 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 33.1 m -70.21 115.93 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.772 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.74 165.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.7 m -103.39 123.33 41.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.647 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.518 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 9.0 Cg_exo -70.7 100.99 0.98 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.824 2.349 . . . . 0.0 111.575 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -71.8 -15.1 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.125 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.51 165.05 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.595 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.13 -58.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -94.64 -165.55 36.0 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.312 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 48.3 t -72.7 102.73 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -40.25 64.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.128 -174.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.669 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 28.2 tt0 -73.98 -36.2 64.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.824 0.345 . . . . 0.0 110.749 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -68.39 -29.7 68.45 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.26 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.2 mt -67.43 -26.3 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.669 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -76.36 -15.76 59.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.115 0.483 . . . . 0.0 110.248 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -116.48 6.57 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.21 49.48 70.78 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.487 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -123.07 149.52 57.24 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.559 0.218 . . . . 0.0 110.868 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 -160.89 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.961 2.441 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -156.51 163.8 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' HG21 ' A' ' 102' ' ' VAL . 49.5 t -91.4 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 89.1 m-70 -135.37 150.73 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.787 0.327 . . . . 0.0 110.126 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 98' ' ' ILE . 95.1 mt -112.82 142.99 44.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.273 -175.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.707 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -134.74 137.75 43.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.594 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HB ' ' HD2' ' A' ' 69' ' ' TYR . 17.3 tt -97.35 156.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -112.58 109.23 18.65 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 12.4 mmm180 -69.1 8.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -107.31 -27.83 10.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.436 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.4 p -142.24 -3.6 1.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.441 -0.504 . . . . 0.0 112.0 -173.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.94 79.1 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.624 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -94.36 134.29 37.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 44' ' ' GLY . 3.0 t -91.71 -177.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.638 ' H ' HG12 ' A' ' 43' ' ' VAL . . . 169.5 155.69 10.18 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 173.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 p -78.16 139.66 38.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.6 p -64.0 172.06 2.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.7 p-10 -76.83 -1.42 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.52 -21.01 61.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 t -87.18 141.58 32.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.927 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.93 -12.62 23.18 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.747 2.298 . . . . 0.0 112.956 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -83.87 -37.14 22.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 85.7 mttt 48.61 55.12 9.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.45 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -78.3 -18.13 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.352 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -47.79 67.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -71.71 -42.33 67.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -60.28 -35.11 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.763 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -64.37 -45.58 87.1 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.593 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -62.06 -44.74 96.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.204 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -64.01 -29.32 70.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.39 -53.81 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.4 p -90.04 -31.64 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.43 48.05 5.78 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.716 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.9 m170 -114.64 95.2 39.71 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 89.5 Cg_endo -81.16 5.16 6.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.213 2.609 . . . . 0.0 114.878 -169.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 7' ' ' HIS . 37.2 mt -126.24 130.0 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.418 0.628 . . . . 0.0 111.698 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' A' ' 77' ' ' TRP . 41.1 pt -129.26 172.16 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.961 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 44.2 tt0 -138.0 148.22 44.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.921 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.54 102.99 0.88 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.671 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.585 ' HD2' ' HB ' ' A' ' 36' ' ' ILE . 29.9 t80 -87.64 -43.49 11.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.706 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 9.8 t70 -77.06 -53.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.362 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 3.2 Cg_exo -81.69 107.03 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.975 1.783 . . . . 0.0 111.099 176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.0 Cg_exo -78.89 37.33 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.461 2.774 . . . . 0.0 112.506 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 33.9 mt-10 -84.15 -11.96 55.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.058 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 71.35 76.37 0.58 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.999 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.585 ' HE1' ' HB2' ' A' ' 71' ' ' PRO . 55.2 p-90 -142.06 148.89 39.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.39 132.91 9.8 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.445 ' HB3' HG13 ' A' ' 66' ' ' ILE . 75.8 t-105 -108.83 125.46 51.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.1 t -105.22 105.75 15.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 69.7 m-85 -51.09 -55.44 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.583 HG23 ' OD1' ' A' ' 81' ' ' ASP . 23.7 m -66.26 -19.77 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.328 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.583 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.3 m-20 -97.34 -34.78 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.864 0.364 . . . . 0.0 110.502 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 66.14 32.05 8.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.64 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.5 m -118.35 140.73 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.703 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttp -107.35 115.31 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.129 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -109.01 168.66 9.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -83.12 132.3 35.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.641 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.8 mt -135.66 18.67 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.594 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.588 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 24.6 t -52.83 -41.63 64.39 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.22 -14.32 55.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -127.97 14.14 6.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.434 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 ptm -74.52 163.04 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.987 0.423 . . . . 0.0 110.885 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 m -85.64 124.05 71.75 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.99 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 131.76 22.69 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 111.776 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -75.41 128.44 35.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.911 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -93.29 17.01 11.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 111.035 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.53 160.18 32.75 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.675 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.97 155.01 26.15 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.752 2.302 . . . . 0.0 112.481 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.539 HD13 HD12 ' A' ' 34' ' ' LEU . 78.8 mt -118.32 123.75 29.11 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.48 131.63 45.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.684 2.256 . . . . 0.0 111.783 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.571 HH21 HG23 ' A' ' 102' ' ' VAL . 2.7 tpt180 -85.81 104.2 15.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.954 -175.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -102.59 -9.99 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.05 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.571 HG23 HH21 ' A' ' 100' ' ' ARG . 3.9 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.788 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.9 p . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.35 -29.29 67.56 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.733 0.242 . . . . 0.0 111.585 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 36.5 m80 -60.87 -25.93 67.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.82 0.343 . . . . 0.0 111.234 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.45 -27.08 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -175.166 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.7 2.34 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.818 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.78 11.55 10.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.594 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.725 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.2 pt -100.36 151.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.92 172.74 12.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.134 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -86.29 98.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.86 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.209 -169.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.5 m -107.89 126.48 29.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.014 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.6 Cg_exo -59.55 135.29 63.54 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.847 2.365 . . . . 0.0 112.566 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 23.5 m -72.01 -31.89 66.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.96 171.84 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.682 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.27 -44.45 19.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.125 0.488 . . . . 0.0 109.951 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.55 -144.12 7.89 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.725 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 34' ' ' LEU . 60.4 m -75.18 108.93 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.77 -0.253 . . . . 0.0 111.061 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.18 -31.35 5.61 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.956 0.785 . . . . 0.0 111.496 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.08 -63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.0 m -56.02 -29.76 60.84 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 77.6 mt -64.66 -16.19 62.45 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' ILE . 11.6 ptmt -68.43 -24.8 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 110.534 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HG3' ' A' ' 26' ' ' LYS . 7.8 pt -127.73 5.26 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.354 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.21 27.61 73.66 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.853 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -88.99 157.17 48.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.697 0.284 . . . . 0.0 111.453 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 101' ' ' TYR . 16.3 Cg_exo -69.62 174.96 8.62 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.245 2.63 . . . . 0.0 113.106 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.7 p90 -150.54 160.68 43.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.259 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.59 -56.76 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -135.46 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.124 0.488 . . . . 0.0 111.296 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 21' ' ' CYS . 76.9 mt -112.75 131.94 55.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.742 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.596 ' HD3' ' HB1' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -141.65 134.33 28.54 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.474 0.654 . . . . 0.0 111.435 177.153 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 43' ' ' VAL . 7.4 tt -119.53 141.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.105 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 m -72.93 143.82 47.55 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.481 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -82.95 36.8 0.51 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.055 0.455 . . . . 0.0 109.9 171.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -140.59 -62.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.63 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 14.7 p -102.08 -13.62 17.43 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.729 0.299 . . . . 0.0 111.688 -174.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.36 -1.63 88.41 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.565 -0.826 . . . . 0.0 114.105 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.473 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 12.4 m-70 -75.97 119.45 19.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 117.537 0.668 . . . . 0.0 111.182 -177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 36' ' ' ILE . 45.0 t -87.96 122.23 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.817 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.23 160.57 19.82 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.066 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.7 p -72.76 128.78 36.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.91 160.88 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.54 -4.63 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.471 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -64.1 -36.49 84.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 109.97 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -86.7 146.03 40.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.71 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.25 -27.5 80.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.399 2.733 . . . . 0.0 113.779 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 40.6 m-70 -62.5 -42.53 99.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.185 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt 50.66 36.31 13.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.064 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.2 -18.49 48.71 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.355 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB1' ' HD3' ' A' ' 35' ' ' ARG . . . -66.36 -48.58 69.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.696 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.8 p -78.63 -39.53 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -61.19 -37.45 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.93 -38.98 72.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.709 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -63.69 -39.46 94.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.9 0.381 . . . . 0.0 110.331 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -61.12 -32.56 72.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.798 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.23 -47.67 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -174.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -96.62 -14.36 22.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.92 47.89 77.61 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.522 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -110.51 92.33 13.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 93.5 Cg_endo -80.27 -22.23 7.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.963 2.442 . . . . 0.0 113.946 -171.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.8 mt -97.87 121.81 48.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.548 0.69 . . . . 0.0 111.441 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 38.0 pt -126.82 144.67 36.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.324 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.61 144.87 35.76 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA3' ' CZ2' ' A' ' 75' ' ' TRP . . . -68.27 110.09 3.24 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.741 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -92.2 -27.42 17.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.498 0.189 . . . . 0.0 111.211 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.623 ' CG ' ' HD3' ' A' ' 71' ' ' PRO . 5.5 p-10 -84.19 -38.36 0.67 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.439 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' CG ' ' A' ' 70' ' ' ASP . 58.4 Cg_endo -104.04 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.866 2.377 . . . . 0.0 111.29 170.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 5.0 Cg_exo -75.93 78.79 3.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -111.05 -0.46 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.229 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 73.3 73.08 0.91 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.077 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.474 ' CZ2' ' HA3' ' A' ' 68' ' ' GLY . 52.3 p-90 -142.63 142.31 32.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.849 0.357 . . . . 0.0 110.254 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.37 129.19 8.2 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.365 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -106.62 137.34 44.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.2 t -118.06 111.2 18.6 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 34.4 m-85 -46.67 -66.41 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -172.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.6 m -67.22 -21.12 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -84.16 -36.94 22.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 0.0 110.187 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 67.97 23.85 8.12 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.536 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 m -112.06 150.46 14.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.496 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 57.1 ttp -119.85 120.4 36.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.705 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -115.33 168.1 10.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.73 136.45 33.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.181 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.8 mt -134.35 25.77 3.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.023 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.55 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.4 p -56.54 -39.31 73.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 -10.23 59.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 110.81 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -125.29 14.79 8.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.234 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.1 ptp -61.93 154.3 26.71 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 m -98.48 108.04 45.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.402 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.54 131.17 18.3 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.389 2.059 . . . . 0.0 111.734 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' A' ' 96' ' ' GLY . 55.0 p-80 -61.81 138.71 58.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.981 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.68 -56.5 13.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.768 -174.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 94' ' ' HIS . . . -134.05 -174.4 13.5 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.811 -174.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.29 119.24 6.24 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.906 2.404 . . . . 0.0 111.93 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 34' ' ' LEU . 57.2 mt -97.74 123.03 53.26 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.831 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 17.0 Cg_exo -66.92 104.35 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.733 2.288 . . . . 0.0 111.833 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -88.48 117.67 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 30' ' ' PRO . 79.1 m-85 -92.54 -59.54 2.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.779 -174.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.879 -175.418 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 8' ' ' VAL . 31.5 p . . . . . 0 N--CA 1.457 -0.087 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -64.87 -24.54 67.57 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.58 -25.4 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.542 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 12.7 t -63.72 -30.48 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.202 0.525 . . . . 0.0 109.99 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.02 -17.49 59.65 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.38 37.35 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.225 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 65' ' ' ILE . 47.8 pt -91.21 153.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.474 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 172.03 12.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.487 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.648 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 39.3 m -73.84 96.66 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.653 0.739 . . . . 0.0 111.088 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.2 m -84.83 161.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.205 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.4 m -96.11 128.57 36.59 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.943 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.64 107.8 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.725 2.284 . . . . 0.0 112.027 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -83.47 11.78 6.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.445 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -163.19 149.95 12.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.396 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' HA3' ' A' ' 96' ' ' GLY . 10.8 mp -80.68 -48.05 13.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.252 0.548 . . . . 0.0 109.925 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.58 -147.02 7.03 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 72.4 m -75.68 104.06 6.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.004 0.402 . . . . 0.0 110.043 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.24 -38.03 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 0.0 110.38 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.1 tp10 -60.39 -60.71 3.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.734 178.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.633 ' HB3' ' O ' ' A' ' 29' ' ' SER . 73.2 m -52.55 -40.24 62.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.773 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.11 -15.78 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.8 ptmt -83.51 -18.8 37.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.258 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.4 pt -118.49 -5.41 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.757 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.13 42.23 24.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.32 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.633 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 66.1 m -118.69 156.36 51.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.474 0.178 . . . . 0.0 110.996 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.3 179.58 5.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.703 2.268 . . . . 0.0 112.824 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -146.87 164.97 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.315 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 33' ' ' HIS . 48.4 t -90.44 -66.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.283 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 32' ' ' VAL . 88.2 m-70 -131.91 153.87 49.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.47 . . . . 0.0 111.16 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 98' ' ' ILE . 97.5 mt -101.51 131.01 47.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.48 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 35' ' ' ARG . 7.7 mmm180 -120.83 109.43 15.13 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 67' ' ' GLU . 14.0 tt -95.97 121.94 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 122.175 0.988 . . . . 0.0 109.869 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.98 116.29 14.43 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.708 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.648 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 8.7 mmm180 -72.42 1.98 7.01 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -173.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -98.88 -61.1 1.41 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.846 0.355 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 p -102.75 1.86 34.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 73.29 14.43 79.22 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.154 -0.546 . . . . 0.0 114.404 173.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -94.18 133.82 37.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.867 0.833 . . . . 0.0 110.681 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 21.5 t -90.86 132.37 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.98 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 171.55 22.45 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.925 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.515 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 6.7 p -83.12 137.12 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.804 0.335 . . . . 0.0 110.814 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.53 172.68 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.897 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.0 p-10 -75.81 -8.56 57.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.04 -42.56 85.65 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.866 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.9 m -83.1 134.78 45.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.72 -15.98 23.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.219 2.613 . . . . 0.0 113.501 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.68 -39.2 93.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.222 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 47.8 mtmt 46.87 51.4 12.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.519 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -76.0 -20.57 57.74 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.018 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.42 -44.67 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -74.24 -43.6 56.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -59.87 -29.24 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -65.56 -41.89 92.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -62.93 -38.21 90.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.478 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -67.43 -26.47 66.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.279 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.75 -50.1 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.3 p -94.73 -26.51 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.36 39.78 21.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.98 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -107.65 102.51 45.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 77.5 Cg_endo -83.99 0.82 9.12 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.957 2.438 . . . . 0.0 115.666 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 11' ' ' ILE . 36.5 mt -126.69 126.98 69.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 118.885 0.766 . . . . 0.0 112.421 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 HD12 ' HE ' ' A' ' 35' ' ' ARG . 38.5 pt -129.74 138.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.163 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 36' ' ' ILE . 33.8 tt0 -103.86 148.48 26.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 108.56 2.54 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 14.3 t80 -93.03 -27.79 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -172.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 6.9 p-10 -78.48 -37.26 1.36 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.819 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 9.8 Cg_endo -89.9 118.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 121.842 1.695 . . . . 0.0 111.227 173.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.7 Cg_exo -71.21 35.8 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.219 2.613 . . . . 0.0 112.947 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 33.3 mt-10 -86.62 -38.66 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.299 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 84.8 0.76 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.18 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 51.3 p-90 -150.82 140.1 21.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 110.68 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.35 135.61 12.79 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.432 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.4 ' HE3' ' HB2' ' A' ' 84' ' ' MET . 56.6 t-105 -102.67 135.93 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 3.4 t -113.51 113.51 25.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 63.0 m-85 -53.49 -67.13 0.28 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.8 m -61.88 -19.99 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -89.57 -36.67 15.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.88 0.371 . . . . 0.0 110.164 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.67 24.88 8.31 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.749 -176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 81' ' ' ASP . 35.9 m -117.95 141.37 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.531 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 77' ' ' TRP . 54.3 ttp -100.03 138.03 37.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.098 174.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 51.1 p90 -131.81 145.29 51.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.47 137.38 55.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -140.46 23.78 2.31 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.636 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 t -61.75 -33.78 74.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.734 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.31 -19.16 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.16 16.63 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.685 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.15 165.31 18.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.129 0.49 . . . . 0.0 111.557 -172.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 HD13 ' A' ' 36' ' ' ILE . 40.6 p -84.14 134.24 43.86 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.035 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.8 116.13 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.357 2.038 . . . . 0.0 111.924 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -61.46 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 110.232 177.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -87.95 2.08 52.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.949 -166.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.517 ' HA3' ' HG ' ' A' ' 19' ' ' LEU . . . -157.18 175.04 34.72 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.932 -1.127 . . . . 0.0 112.817 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.19 127.17 10.34 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.965 2.444 . . . . 0.0 111.898 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 34' ' ' LEU . 63.5 mt -117.36 112.91 39.14 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.615 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 12.5 Cg_exo -70.08 123.9 10.44 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.936 2.424 . . . . 0.0 112.837 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.589 ' HD2' ' OXT' ' A' ' 102' ' ' VAL . 6.9 tpp180 -70.66 104.56 2.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.332 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.41 -36.14 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.589 ' OXT' ' HD2' ' A' ' 100' ' ' ARG . 6.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 6' ' ' ARG . 11.7 ptt180 -60.37 -25.49 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -65.96 -26.71 67.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.604 0.24 . . . . 0.0 111.45 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 17.3 t -65.15 -29.24 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.482 0.658 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -13.04 62.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.17 -13.5 33.37 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.246 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.518 HD13 HG21 ' A' ' 65' ' ' ILE . 44.1 pt -86.28 152.11 3.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 117.23 0.515 . . . . 0.0 110.581 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -123.87 176.9 6.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.094 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -76.77 101.48 5.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 18.1 m -99.49 144.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.173 0.511 . . . . 0.0 111.84 -170.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -85.6 128.1 60.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.271 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.13 132.11 35.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.64 2.227 . . . . 0.0 112.417 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.3 m -60.23 -47.36 86.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.2 178.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.987 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.69 -59.21 5.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.271 0.557 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.71 -149.05 15.98 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.457 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 48.6 t -75.17 117.81 17.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -38.15 -70.36 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.473 1.108 . . . . 0.0 113.359 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.654 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 34.4 tt0 -68.8 -31.17 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 87.9 m -62.59 -32.71 73.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.061 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.703 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 32.6 pttt -67.35 -23.62 65.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.18 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 26' ' ' LYS . 22.6 pt -128.96 4.26 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.08 45.71 93.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.707 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t -79.53 113.85 40.55 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 31.0 Cg_exo -61.96 121.25 9.23 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.092 2.528 . . . . 0.0 112.755 -176.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -109.85 157.42 19.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.433 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.84 -58.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -136.06 150.99 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.579 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 95.7 mt -109.49 132.12 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.19 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' CD ' HD12 ' A' ' 66' ' ' ILE . 85.1 mtt180 -129.65 126.19 37.81 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.301 0.572 . . . . 0.0 109.948 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.452 HD13 HG21 ' A' ' 92' ' ' THR . 13.0 tt -96.32 124.83 49.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.913 0.863 . . . . 0.0 110.333 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.15 107.02 2.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.581 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 14' ' ' VAL . 10.2 mmm180 -70.99 6.39 1.58 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.6 -28.48 12.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.774 0.321 . . . . 0.0 111.511 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 19.6 p -142.84 -0.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.808 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 80.26 13.96 81.07 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.569 175.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.511 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 1.7 t60 -83.56 116.78 22.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.379 0.59 . . . . 0.0 109.913 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -86.83 124.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.433 ' HA2' ' SG ' ' A' ' 21' ' ' CYS . . . -141.85 154.25 24.72 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.252 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -73.43 140.98 46.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 48' ' ' ASP . 18.1 p -71.7 -179.65 2.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.742 0.306 . . . . 0.0 111.099 -177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 12.1 p-10 -75.73 -7.63 54.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.824 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.407 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 6.5 m-20 -64.49 -26.54 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -95.27 139.18 21.91 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.65 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.05 -29.72 66.59 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.334 2.69 . . . . 0.0 113.626 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -72.96 -25.19 60.92 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.809 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 54.1 mtmt 40.56 63.04 1.21 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.801 0.841 . . . . 0.0 113.102 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 5.8 m170 -76.98 -40.2 47.69 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.92 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p -75.04 -48.28 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.624 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.75 -27.91 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.418 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -68.13 -44.83 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -60.1 -42.82 95.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 0.0 110.212 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -61.26 -27.08 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.228 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.72 -48.94 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 p -93.35 -20.64 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.12 40.0 57.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.76 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -107.49 100.4 33.89 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 87.1 Cg_endo -85.8 6.7 5.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.024 2.483 . . . . 0.0 115.405 -166.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.518 HG21 HD13 ' A' ' 11' ' ' ILE . 24.7 mt -128.15 128.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.472 0.653 . . . . 0.0 112.259 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' CD ' ' A' ' 35' ' ' ARG . 30.8 pt -132.99 150.48 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.194 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.7 tt0 -116.36 144.58 44.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.462 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.57 107.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.257 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -93.08 -44.33 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.659 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.01 -36.65 11.53 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.09 -177.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 13.8 Cg_endo -93.26 123.79 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.19 1.927 . . . . 0.0 111.643 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 9.0 Cg_exo -72.74 44.3 0.75 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.238 2.626 . . . . 0.0 112.709 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.57 -52.47 5.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.966 0.412 . . . . 0.0 110.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.34 74.65 1.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.132 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -145.75 148.96 33.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.766 0.317 . . . . 0.0 110.689 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.03 139.67 14.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.103 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.411 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 65.4 t-105 -111.98 135.03 53.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.8 t -112.01 110.95 21.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 56.2 m-85 -51.07 -59.8 3.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -173.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.427 HG23 ' OD1' ' A' ' 81' ' ' ASP . 18.4 m -68.72 -20.49 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -89.22 -37.13 15.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 0.0 110.134 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.87 32.67 10.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.287 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -120.94 148.29 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.17 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.411 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 47.4 ttm -110.59 129.13 55.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.711 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 37.1 p90 -119.98 169.63 10.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.691 0.281 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.63 135.43 33.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.436 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -135.98 27.03 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 p -59.21 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.78 -1.5 52.75 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -132.02 18.91 4.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.845 0.355 . . . . 0.0 110.395 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.596 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.7 ptm -72.83 148.81 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.638 -173.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.3 m -70.61 118.57 65.98 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.305 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.7 Cg_exo -66.44 138.42 50.37 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.738 2.292 . . . . 0.0 112.524 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -61.99 135.77 57.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.225 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.58 13.92 33.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.462 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.11 30.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.48 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.68 123.88 9.35 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.211 2.608 . . . . 0.0 112.101 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.08 129.07 36.59 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.565 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.85 112.19 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.609 2.206 . . . . 0.0 111.482 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HD3' ' OXT' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -102.23 127.32 49.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -97.33 -47.61 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.383 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.435 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 9.7 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.571 -175.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.0 p . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -58.27 -23.11 55.15 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -61.72 -24.72 66.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -60.62 -28.07 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -178.228 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.84 -3.43 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.57 -5.47 48.41 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.438 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 8' ' ' VAL . 42.2 pt -101.74 153.77 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.528 . . . . 0.0 110.953 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 163.48 23.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.848 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -71.13 99.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.91 160.51 2.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.934 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -101.73 124.15 41.55 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.153 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 95' ' ' ASN . 43.2 Cg_exo -55.62 120.26 7.94 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.957 2.438 . . . . 0.0 112.495 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 t -87.66 -14.38 40.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.99 46.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.219 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.97 -58.01 2.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.97 -151.01 24.78 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.452 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.0 t -77.06 108.82 10.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.68 -0.306 . . . . 0.0 110.217 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.9 -37.49 19.89 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.894 0.746 . . . . 0.0 111.475 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.4 tp10 -74.65 -49.26 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' SER . 97.7 m -65.53 -30.57 71.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.726 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 88.4 mt -66.16 -19.35 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.1 ptmt -73.78 -21.11 60.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 0.0 110.989 -177.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -127.2 -3.26 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.602 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.45 34.23 36.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.992 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 34.4 t -85.7 145.0 40.66 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 6.7 Cg_exo -74.37 172.83 15.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.573 2.182 . . . . 0.0 112.042 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -150.09 158.17 43.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.72 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG12 ' CD2' ' A' ' 33' ' ' HIS . 22.8 t -91.07 -64.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 110.328 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 95.7 m-70 -131.23 159.0 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.4 mt -111.81 142.73 43.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD2' HD12 ' A' ' 66' ' ' ILE . 23.2 mmt180 -122.38 119.4 30.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.728 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 67' ' ' GLU . 12.4 tt -97.09 121.31 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.893 0.854 . . . . 0.0 109.732 175.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.66 115.68 18.51 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.214 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.649 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 8.9 mmm180 -73.66 7.17 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -173.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -106.23 -23.73 12.5 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.689 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.85 -6.54 0.86 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.115 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.09 82.07 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.92 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 138.08 31.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.592 0.696 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.4 t -108.02 137.57 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.652 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.66 169.7 25.93 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.6 p -73.25 147.86 44.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 25.0 p -68.99 -173.26 0.47 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 111.119 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.541 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.7 p-10 -82.3 2.83 30.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.141 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -79.17 -35.41 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.242 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -82.29 145.99 53.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.252 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.65 -36.54 32.62 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.745 2.963 . . . . 0.0 113.778 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -66.27 -42.93 87.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 91.0 mttt 51.68 40.13 26.72 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.203 -177.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -64.41 -23.3 67.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.666 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' HIS . . . -73.59 -42.11 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -74.17 -40.59 62.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.918 0.39 . . . . 0.0 110.528 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 52.5 mtp180 -66.06 -25.41 67.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' ALA . 69.2 t60 -61.78 -41.67 98.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.614 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.98 -36.58 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.291 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.48 -27.34 66.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.707 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.77 -58.29 2.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.93 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -84.04 -27.92 28.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.54 39.57 14.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.853 -175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -110.52 102.31 51.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 79.3 Cg_endo -86.33 2.52 7.28 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.089 2.526 . . . . 0.0 115.586 -167.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG21 HD13 ' A' ' 11' ' ' ILE . 57.7 mt -128.17 130.52 69.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.338 0.59 . . . . 0.0 112.33 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' HD2' ' A' ' 35' ' ' ARG . 34.5 pt -136.17 154.61 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.656 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.649 ' OE1' ' HD3' ' A' ' 38' ' ' ARG . 31.1 mt-10 -107.89 166.71 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.172 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.26 101.04 2.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 20.8 t80 -81.73 -22.2 37.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.057 0.456 . . . . 0.0 110.138 -177.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 3.6 t70 -76.63 -54.28 1.79 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.787 175.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 98.5 Cg_endo -95.42 101.81 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.118 1.879 . . . . 0.0 112.078 172.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 7.3 Cg_exo -74.22 50.24 2.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.491 2.794 . . . . 0.0 112.414 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.43 -23.78 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.4 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.82 76.26 1.31 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.481 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -151.96 145.19 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.71 133.8 10.92 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.228 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -107.77 131.71 54.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.2 t -112.31 114.18 26.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 66.8 m-85 -53.11 -59.03 5.05 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -172.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' OD1' ' A' ' 81' ' ' ASP . 13.4 m -69.05 -27.89 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -80.5 -38.4 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.993 0.425 . . . . 0.0 110.302 -179.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 63.46 31.66 14.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.758 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 81' ' ' ASP . 22.5 m -114.88 152.38 16.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.719 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 48.1 ttm -116.55 113.12 22.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -105.75 151.15 24.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.714 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.88 122.69 24.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.628 -176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -118.5 23.05 11.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.415 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -62.85 -29.55 70.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.45 -20.58 61.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.406 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -133.24 23.97 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.002 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.8 ptp -62.91 147.9 48.96 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 m -99.33 106.26 38.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.889 173.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 7.1 Cg_exo -74.1 162.17 39.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.013 2.475 . . . . 0.0 112.472 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 51.2 p-80 -64.71 124.83 22.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 16' ' ' PRO . 5.7 p30 -81.04 -13.59 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.244 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.79 -173.97 33.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.039 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.62 121.36 8.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.189 2.593 . . . . 0.0 112.48 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.1 mt -109.42 124.52 33.65 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.77 111.84 2.5 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.388 2.059 . . . . 0.0 111.974 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -85.74 121.5 28.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.806 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.53 -43.5 6.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.427 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.304 -178.037 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 8' ' ' VAL . 21.5 p . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -54.48 -22.01 11.59 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.97 -24.08 62.29 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.625 177.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 HD11 ' A' ' 11' ' ' ILE . 11.4 p -59.38 -27.53 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 111.015 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -10.95 60.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.454 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 -30.71 7.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.932 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 8' ' ' VAL . 14.0 pt -83.27 147.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.724 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.421 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -134.58 -179.32 5.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.321 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 107.37 7.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 160.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.718 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 m -96.47 125.69 46.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.211 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.53 113.57 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 111.531 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 2.3 p -76.0 -9.9 58.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.629 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.13 152.53 28.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.988 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.34 -46.42 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.288 0.565 . . . . 0.0 109.66 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.33 -165.14 21.11 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.658 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.07 98.55 5.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.6 tp10 -66.49 90.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.0 tp10 167.01 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 41.1 m -67.28 -29.36 68.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.29 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.56 -17.62 64.12 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.605 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG3' HG23 ' A' ' 27' ' ' ILE . 13.9 ptpt -74.64 -26.6 59.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.466 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.596 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.8 pt -110.93 -20.27 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.09 29.3 8.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.061 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.7 t -87.28 143.19 34.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 5.4 Cg_exo -79.14 -166.84 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.093 2.529 . . . . 0.0 112.234 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.44 ' CZ2' ' HG2' ' A' ' 99' ' ' PRO . 12.4 p90 -161.69 170.17 20.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.976 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.5 -66.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' HD2' ' OD1' ' A' ' 70' ' ' ASP . 32.3 m80 -131.49 144.55 51.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.877 0.37 . . . . 0.0 110.223 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.557 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.8 mt -102.33 134.31 45.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.795 174.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.7 mtt180 -126.96 136.11 51.81 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 92' ' ' THR . 14.6 tt -97.05 131.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.697 0.761 . . . . 0.0 110.282 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HA ' HG22 ' A' ' 66' ' ' ILE . 42.8 t -76.76 112.54 13.46 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.031 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.6 mmm180 -72.11 2.72 5.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 -58.66 1.97 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.899 0.381 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.23 -15.87 15.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.328 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.01 23.45 45.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.823 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 9.1 t-80 -94.59 137.81 33.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.759 0.779 . . . . 0.0 110.089 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -105.35 143.28 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.4 169.13 39.75 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.192 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 12.1 p -73.01 133.47 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.024 0.44 . . . . 0.0 109.909 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 p -87.28 -169.07 2.46 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.447 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 28.0 t70 -58.5 -22.48 55.22 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.945 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.14 -34.98 59.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 m -104.43 148.07 35.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.285 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.2 -16.28 51.33 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.908 2.406 . . . . 0.0 113.312 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.4 t60 -76.84 -29.47 55.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 49' ' ' SER . 8.7 mtmt 49.15 44.17 22.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.38 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -68.17 -28.57 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 46' ' ' CYS . . . -75.97 -38.86 57.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 47' ' ' ASP . 60.1 p -77.69 -42.16 35.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.991 -176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.1 -27.69 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.88 -47.08 84.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 19.3 t80 -61.46 -40.02 93.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.631 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -60.95 -26.89 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.824 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.81 -51.88 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.008 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -81.05 -27.18 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.79 35.45 50.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.517 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -103.45 97.12 9.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.3 Cg_endo -80.24 -15.21 11.57 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.684 2.256 . . . . 0.0 114.839 -168.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' HB ' HG21 ' A' ' 11' ' ' ILE . 64.2 mt -110.12 126.27 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.634 0.731 . . . . 0.0 112.404 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.552 HD12 ' HD2' ' A' ' 35' ' ' ARG . 37.4 pt -130.94 160.57 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.442 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 40.1 tt0 -127.83 146.5 50.59 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.179 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.88 109.93 3.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.843 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.8 t80 -95.78 -40.81 9.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.667 0.27 . . . . 0.0 110.413 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.605 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 6.7 t70 -68.34 -47.55 37.3 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.57 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.1 Cg_endo -99.75 89.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.649 2.233 . . . . 0.0 111.29 167.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 2.8 Cg_exo -75.49 89.79 1.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.757 2.305 . . . . 0.0 112.037 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.9 mt-10 -113.08 -11.81 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.582 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 79.46 65.49 1.78 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 45.9 p-90 -142.17 149.33 39.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 110.805 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.57 118.03 4.14 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.746 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 74.1 t-105 -94.19 127.77 40.23 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.3 t -109.3 103.18 12.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -45.87 -56.62 5.18 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.3 m -67.39 -20.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.595 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -95.63 -35.19 11.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 0.0 110.174 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 63.52 29.44 15.33 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.358 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 81' ' ' ASP . 21.9 m -115.51 146.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.017 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.9 ttm -113.07 108.5 17.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -99.73 165.52 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.394 0.616 . . . . 0.0 111.325 -174.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -132.94 23.94 4.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.665 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 10.4 t -57.86 -37.67 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.921 -172.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -86.68 0.04 55.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.563 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.7 15.71 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.73 0.3 . . . . 0.0 110.24 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.2 ptm -69.87 153.46 43.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.692 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.458 HG21 HD13 ' A' ' 36' ' ' ILE . 3.0 m -84.91 116.33 64.9 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.445 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.37 157.72 41.1 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.384 2.056 . . . . 0.0 112.037 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.562 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 28.4 p-80 -91.21 129.0 37.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -93.03 -10.39 36.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.4 175.47 28.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.099 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.39 116.63 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.674 2.916 . . . . 0.0 112.143 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -95.3 129.13 36.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.648 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 31' ' ' TRP . 24.7 Cg_endo -63.69 109.58 1.09 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.624 2.216 . . . . 0.0 112.126 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -85.48 114.31 22.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.688 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -102.61 -8.86 20.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.321 178.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.8 p . . . . . 0 C--O 1.23 0.067 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.5 -17.51 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 111.23 -177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.5 -26.41 68.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 14.7 t -68.0 -30.14 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 121.391 0.615 . . . . 0.0 109.809 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.79 60.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.588 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.4 -28.32 13.25 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.701 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.556 HD13 HG21 ' A' ' 65' ' ' ILE . 41.4 pt -76.15 151.31 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.214 0.53 . . . . 0.0 111.096 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.98 -170.42 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.634 -177.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -77.59 125.23 29.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 m -121.29 151.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.979 0.419 . . . . 0.0 111.668 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.6 m -93.21 126.78 49.51 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.512 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.9 130.91 38.92 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.057 2.504 . . . . 0.0 112.485 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -68.2 -37.94 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.8 173.03 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.85 -50.61 68.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.172 0.511 . . . . 0.0 109.935 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -122.93 -163.56 11.84 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.144 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 42.8 t -67.65 112.2 4.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 22' ' ' GLU . 5.8 mp0 -62.01 -29.49 70.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.103 0.478 . . . . 0.0 110.096 -176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 12.8 tp10 -56.09 -53.26 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.93 176.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 29' ' ' SER . 70.2 m -66.6 -36.31 82.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.559 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 93.8 mt -67.15 -15.71 63.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.939 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -67.84 -25.58 65.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 110.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 29' ' ' SER . 17.2 pt -124.18 -11.62 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.4 26.71 24.77 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.826 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 15.9 t -84.54 150.75 57.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.441 0.296 . . . . 0.0 110.523 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -73.66 -172.47 1.08 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.034 2.489 . . . . 0.0 112.497 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.716 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 20.1 p90 -157.16 179.88 8.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.546 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 102' ' ' VAL . 55.9 t -106.26 -74.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -138.85 129.87 26.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.438 0.637 . . . . 0.0 111.027 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 50.9 mt -85.94 138.06 32.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.065 -176.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -112.7 130.68 55.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.972 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' HB ' ' HB2' ' A' ' 69' ' ' TYR . 18.4 tt -97.45 127.23 49.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.844 0.83 . . . . 0.0 110.563 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.2 t -74.79 113.48 12.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.597 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -72.33 -0.27 11.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -96.86 -29.89 13.46 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.75 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.0 2.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.041 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.84 78.56 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.619 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.82 137.95 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.73 129.91 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.349 0.595 . . . . 0.0 110.859 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.33 125.14 3.1 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.92 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.716 ' SG ' ' HB2' ' A' ' 31' ' ' TRP . 6.0 t -72.14 142.31 49.12 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.3 t -60.9 164.82 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 111.779 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.2 p-10 -63.89 -13.81 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.358 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.11 -32.06 73.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 m -85.92 143.6 37.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.547 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -32.9 59.45 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.131 2.554 . . . . 0.0 113.158 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -65.03 -35.48 81.31 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.291 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 50.2 mtmt 47.89 53.8 10.92 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.571 0.544 . . . . 0.0 111.727 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -78.88 -24.9 43.93 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.048 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.15 77.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.803 0.335 . . . . 0.0 110.499 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 8.8 p -71.74 -48.55 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.518 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -60.51 -37.37 80.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -65.74 -41.57 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.393 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 14.3 t80 -59.35 -44.58 92.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.36 -31.99 71.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.3 -58.45 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.974 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.2 p -84.19 -23.01 30.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.13 44.78 12.76 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.258 -174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -115.98 99.99 53.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 98.8 Cg_endo -79.11 -18.43 11.29 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.865 2.377 . . . . 0.0 114.937 -167.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.556 HG21 HD13 ' A' ' 11' ' ' ILE . 46.4 mt -106.5 125.11 62.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.571 0.7 . . . . 0.0 112.609 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.19 159.61 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.829 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.08 168.67 17.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.6 101.32 2.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.147 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.672 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 25.1 t80 -91.89 -62.18 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.278 . . . . 0.0 111.457 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 4.4 t70 -64.9 -51.95 53.27 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 5.1 Cg_endo -88.51 108.02 0.52 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.151 1.9 . . . . 0.0 110.715 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.6 84.57 0.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.285 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.61 -37.43 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.91 75.92 1.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.609 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.41 ' HZ3' ' HB2' ' A' ' 77' ' ' TRP . 62.9 p-90 -157.3 146.51 20.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.811 0.338 . . . . 0.0 110.174 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.25 134.24 11.63 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.637 -176.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 75' ' ' TRP . 70.2 t-105 -113.51 128.89 56.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 6.9 t -110.83 107.6 17.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -52.48 -54.47 32.02 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG13 ' HZ ' ' A' ' 58' ' ' PHE . 11.5 m -62.86 -25.41 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.5 m-20 -93.06 -36.2 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.004 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 66.58 25.79 9.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.454 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -103.97 150.71 7.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.893 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -121.77 124.55 44.47 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 29.8 p90 -128.27 148.93 50.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.432 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -75.12 132.19 41.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -126.81 23.93 6.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.474 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -60.59 -25.97 66.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.261 0.553 . . . . 0.0 110.993 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 90' ' ' ARG . 9.7 p-10 -81.2 -20.91 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.551 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 89' ' ' ASP . 80.7 mtt180 -124.92 17.15 8.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.4 ptm -67.83 152.86 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.008 0.432 . . . . 0.0 111.841 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.8 m -108.42 105.12 56.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.784 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.96 149.92 85.91 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.937 2.424 . . . . 0.0 112.058 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.672 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 43.4 p-80 -61.05 133.48 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.001 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -71.17 -36.23 71.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.965 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.61 -160.77 8.79 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.812 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.11 112.33 2.71 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.234 2.623 . . . . 0.0 112.642 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -108.84 111.29 60.9 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.03 109.12 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.736 2.291 . . . . 0.0 111.754 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -74.89 109.13 8.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.83 -33.54 34.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.779 0.323 . . . . 0.0 110.509 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.57 HG21 HG13 ' A' ' 32' ' ' VAL . 3.4 m . . . . . 0 C--O 1.246 0.871 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.745 178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 26.4 p . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -65.44 -22.32 66.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.548 0.213 . . . . 0.0 111.349 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.9 m80 -60.79 -25.9 66.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.607 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 16.4 t -64.6 -29.18 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.336 0.589 . . . . 0.0 110.278 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.14 -2.21 29.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.243 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.97 2.02 17.15 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.799 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 38' ' ' ARG . 42.2 pt -101.07 153.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -132.57 168.0 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.208 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 121.2 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -107.24 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.238 0.542 . . . . 0.0 111.892 -174.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.8 m -126.77 126.04 24.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.328 176.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 25.9 Cg_exo -63.04 130.11 27.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.396 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -76.08 -12.32 60.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.45 -173.28 3.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 96' ' ' GLY . 81.1 mt -95.89 -43.86 7.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.66 -124.87 2.5 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.637 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 63.5 m -80.79 98.47 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.02 -59.87 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.083 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' CD ' ' HE2' ' A' ' 53' ' ' HIS . 15.9 tt0 -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.554 0.216 . . . . 0.0 111.22 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 79.3 m -51.46 -29.59 16.78 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.9 mt -55.55 -30.43 60.77 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG3' HG23 ' A' ' 27' ' ' ILE . 19.9 ptmt -63.38 -28.74 70.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.541 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.55 4.12 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 111.469 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.79 40.19 95.52 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.087 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 30.0 t -80.48 123.45 82.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.17 172.32 16.48 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.923 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -152.06 159.54 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.612 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 33' ' ' HIS . 57.4 t -79.32 -61.39 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 92.3 m-70 -144.27 -175.57 4.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.747 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' CYS . 94.6 mt -131.24 142.82 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.592 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.79 147.33 46.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.079 174.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.533 HG22 ' HB2' ' A' ' 69' ' ' TYR . 12.2 tt -129.42 140.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.569 -173.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -67.59 142.27 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.175 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.55 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 13.3 mmm180 -81.9 38.86 0.54 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 -66.81 0.4 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.518 -172.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.0 p -99.13 -5.45 30.12 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 13.74 67.38 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.856 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -91.91 128.67 37.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.278 -0.542 . . . . 0.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.28 130.45 36.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.637 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.72 149.62 17.65 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.799 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.79 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.3 p -79.9 153.02 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.639 0.22 . . . . 0.0 110.437 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 85.3 m -58.97 146.21 38.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.092 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 17.9 m-20 -79.08 -0.77 32.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.458 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 46' ' ' CYS . 2.3 m-20 -65.46 -27.92 68.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.031 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.41 ' OG ' HG23 ' A' ' 32' ' ' VAL . 16.4 m -85.74 142.7 37.16 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.415 175.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.33 -33.64 22.95 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 123.684 2.923 . . . . 0.0 113.806 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -39.88 91.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.161 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 44.2 mtmt 44.7 74.24 0.13 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.87 0.732 . . . . 0.0 112.354 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 1.4 m80 -79.08 -38.02 37.35 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.053 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . . . -64.91 -46.82 80.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.406 HG23 ' CG ' ' A' ' 47' ' ' ASP . 22.9 p -67.07 -45.15 78.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -67.08 -36.83 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.675 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.78 -40.52 88.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.992 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.71 -41.3 97.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -64.89 -32.01 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.042 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.44 -43.66 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.3 p -99.54 -28.11 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.7 43.15 9.3 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.151 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -110.75 95.88 25.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 99.0 Cg_endo -79.29 -17.76 11.44 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.786 2.324 . . . . 0.0 114.126 -171.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.5 mt -103.06 120.74 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.411 0.624 . . . . 0.0 111.805 -176.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.592 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 27.8 pt -121.61 131.72 72.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.144 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 35.6 tt0 -101.03 146.92 26.81 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.21 101.2 0.53 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.901 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 50.5 t80 -91.09 -57.73 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 5.3 t70 -72.14 -49.67 9.57 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.694 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 12.3 Cg_exo -70.89 112.76 3.36 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.813 1.675 . . . . 0.0 111.21 174.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.25 76.87 2.96 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.051 2.501 . . . . 0.0 112.216 -176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.01 -62.58 1.22 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.253 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 109.06 75.85 0.89 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.346 178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -149.21 156.48 42.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.78 124.57 5.72 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.911 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 65.3 t-105 -99.69 137.61 37.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.4 t -118.71 106.56 12.7 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -50.66 -52.27 41.38 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' OD1' ' A' ' 81' ' ' ASP . 14.7 m -64.77 -19.74 26.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.1 m-20 -102.29 -31.81 10.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.91 28.12 14.5 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.606 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.13 155.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.104 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.6 ttm -121.03 123.13 41.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.693 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 38.3 p90 -112.52 162.6 15.46 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.529 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 133.35 35.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.6 mt -135.68 22.41 3.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.403 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.577 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 32.8 t -57.69 -33.06 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.977 -173.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.38 1.26 55.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 0.0 111.59 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -134.22 6.97 3.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.18 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.606 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.8 ptm -67.06 153.66 43.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -167.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -91.8 102.77 6.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.862 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 91' ' ' MET . 12.1 Cg_exo -70.96 157.8 57.09 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.663 2.242 . . . . 0.0 112.11 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.648 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 9.0 p80 -49.43 126.93 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.664 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.48 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.849 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -155.17 -153.69 6.61 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.623 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.04 136.85 28.01 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.963 2.442 . . . . 0.0 111.391 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.0 mt -128.23 124.36 22.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.23 106.8 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.675 2.25 . . . . 0.0 111.804 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -86.6 112.7 21.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -85.91 -52.88 5.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.333 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 32' ' ' VAL . 2.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.321 -177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -56.02 -28.25 56.57 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.01 -25.45 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.388 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.582 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 21.2 t -66.08 -30.14 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-O 121.227 0.537 . . . . 0.0 110.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -13.91 62.41 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.835 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -9.63 39.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.985 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.7 pt -88.03 154.62 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.962 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -129.46 174.25 9.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.9 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -85.48 108.91 18.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.3 166.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.386 0.612 . . . . 0.0 112.444 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 52.6 m -108.02 121.95 42.24 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.167 175.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -59.78 123.64 13.69 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.842 2.361 . . . . 0.0 112.777 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 -33.08 74.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.551 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 166.83 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.361 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.23 -44.32 68.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -131.76 -152.64 7.22 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.441 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.0 t -79.32 97.49 6.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.56 -30.58 71.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.357 -174.646 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.52 -41.36 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.262 0.553 . . . . 0.0 109.978 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 29' ' ' SER . 87.7 m -67.99 -30.07 69.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 22' ' ' GLU . 91.5 mt -68.48 -19.59 64.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.878 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -76.61 -16.51 59.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.69 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.4 -1.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.85 47.16 33.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.045 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 45.1 t -96.23 112.18 58.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.754 0.311 . . . . 0.0 110.501 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.11 115.87 3.7 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.022 2.481 . . . . 0.0 112.213 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -86.22 155.64 20.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.45 -53.6 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.912 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -137.98 168.79 18.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.441 HD13 ' HA2' ' A' ' 20' ' ' GLY . 97.7 mt -128.84 135.09 48.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 111.132 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 66' ' ' ILE . 50.8 mtt180 -130.79 134.14 46.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.797 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 69' ' ' TYR . 10.1 tt -125.43 137.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.549 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 m -67.72 147.1 53.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.342 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -86.65 36.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.275 0.56 . . . . 0.0 109.502 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -139.6 -67.57 0.44 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.287 -174.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.7 -19.69 23.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.15 83.43 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.412 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -87.39 128.12 35.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.53 131.1 37.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.437 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.01 148.46 18.14 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.675 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 29.9 p -73.07 140.18 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.934 0.367 . . . . 0.0 110.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.98 164.05 4.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.43 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.617 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.7 p-10 -72.2 -4.63 30.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.412 -175.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.18 -47.22 86.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -78.92 141.33 58.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.149 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.1 -19.48 56.62 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.244 2.629 . . . . 0.0 113.057 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 53' ' ' HIS . 6.7 t60 -66.67 -35.61 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.954 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 59.7 mtmt 42.88 52.35 5.15 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.003 0.814 . . . . 0.0 112.654 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.426 ' HB2' ' HD2' ' A' ' 51' ' ' HIS . 7.6 t-160 -73.19 -16.99 61.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -46.33 26.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.527 ' OG1' ' HB3' ' A' ' 52' ' ' LYS . 17.1 p -77.59 -47.59 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.693 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.75 -33.39 72.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 110.517 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.717 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.14 -44.42 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -28.38 67.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.117 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.81 -55.01 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.764 0.316 . . . . 0.0 111.677 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.0 p -79.35 -40.33 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.94 38.62 6.4 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.998 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -107.57 95.11 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 73.8 Cg_endo -75.94 -20.23 15.24 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 114.041 -170.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.3 mt -103.4 120.14 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.541 0.686 . . . . 0.0 111.683 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' HD3' ' A' ' 35' ' ' ARG . 21.2 pt -130.01 137.6 56.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.409 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.25 143.39 33.02 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.051 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.32 110.0 3.22 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.0 t80 -91.11 -37.77 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -172.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.1 p-10 -79.88 -33.62 0.8 Allowed Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 10.0 Cg_endo -90.68 122.41 0.86 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.894 1.729 . . . . 0.0 111.697 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 13.4 Cg_exo -71.34 50.7 1.29 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.391 2.728 . . . . 0.0 112.459 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 71' ' ' PRO . 39.2 mt-10 -98.36 -51.17 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 89.43 83.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.543 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -154.0 154.23 33.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.674 0.273 . . . . 0.0 110.523 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.07 121.32 5.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.885 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 70.7 t-105 -94.86 131.46 40.74 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.1 t -111.9 102.77 11.0 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 42.8 m-85 -43.56 -65.58 0.48 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -174.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.48 -22.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.98 -32.78 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 67.76 26.96 7.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.364 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.02 153.75 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.326 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.9 ttm -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.953 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 36.6 p90 -104.57 157.88 16.87 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -81.62 135.96 35.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 -175.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 mt -133.73 17.78 3.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.387 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.527 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.0 p -61.24 -29.7 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.748 -172.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -83.58 -5.23 59.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.268 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -138.23 22.76 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.302 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.2 152.91 36.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.498 . . . . 0.0 112.295 -170.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 124.2 89.86 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.598 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.52 142.27 70.78 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.64 2.227 . . . . 0.0 112.405 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -70.22 125.37 26.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.531 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -73.2 -28.72 62.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.7 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.67 -175.71 38.95 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.912 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.25 112.97 3.57 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.033 2.488 . . . . 0.0 111.557 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 58.3 mt -89.84 126.35 57.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 20.4 Cg_exo -65.43 122.12 9.73 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.721 2.281 . . . . 0.0 111.351 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -103.43 110.29 22.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.11 -13.31 57.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.95 0.405 . . . . 0.0 110.622 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.753 177.675 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 46.4 t . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 120.42 0.152 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 7.4 ptp85 -55.71 -26.94 47.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.135 0.574 . . . . 0.0 112.4 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.94 -24.06 49.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.231 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -59.97 -28.78 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.121 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -9.57 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.33 -10.78 50.34 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.486 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.56 HD13 HG21 ' A' ' 65' ' ' ILE . 47.9 pt -101.01 149.49 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -133.78 -179.58 5.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -80.18 104.08 10.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG21 ' HA2' ' A' ' 41' ' ' GLY . 16.9 m -98.73 172.0 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.203 -171.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.3 m -102.97 124.67 37.76 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.545 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 38.2 Cg_exo -60.94 114.89 2.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.827 2.351 . . . . 0.0 112.352 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -57.35 -39.53 76.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.9 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.32 167.38 20.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.956 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' HA3' ' A' ' 96' ' ' GLY . 53.3 mt -78.18 -38.83 42.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.638 0.732 . . . . 0.0 109.25 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -127.53 -150.21 7.34 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.704 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 6.7 p -81.62 103.85 11.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.253 0.526 . . . . 0.0 110.17 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.52 52.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.394 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 31.8 tp10 -56.61 -57.82 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.197 0.523 . . . . 0.0 110.6 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.932 0.396 . . . . 0.0 110.722 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 ' HZ3' ' A' ' 31' ' ' TRP . 63.4 mt -71.17 -15.85 62.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.3 ptmt -76.44 -18.47 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.232 -178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.495 HG23 ' HG3' ' A' ' 26' ' ' LYS . 14.3 pt -122.74 -3.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.33 26.52 51.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.825 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -91.27 147.21 35.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 122.67 -0.312 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.95 176.72 9.09 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.683 2.255 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.471 ' HZ3' HD21 ' A' ' 25' ' ' LEU . 15.7 p90 -142.28 164.97 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 t -101.56 -55.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 34.6 m80 -136.58 156.88 47.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.347 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD13 ' HA2' ' A' ' 20' ' ' GLY . 92.9 mt -122.69 139.33 54.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.7 mtt180 -125.5 121.2 33.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.487 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -96.46 120.91 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.998 0.904 . . . . 0.0 109.49 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 114.01 10.28 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.443 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 9.6 mmm180 -72.78 4.35 4.17 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.76 -54.18 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.311 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.9 -6.12 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.375 -173.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 77.59 17.32 79.15 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.662 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 137.82 33.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 44' ' ' GLY . 4.1 t -88.88 169.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -169.05 149.64 14.08 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 p -76.48 138.29 40.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.73 0.3 . . . . 0.0 110.296 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 50.8 t -62.43 167.39 4.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.857 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 2.1 p30 -65.81 -9.57 29.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.401 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.9 -24.64 66.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.191 173.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -94.4 141.09 23.04 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.537 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.52 -31.76 50.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.323 2.682 . . . . 0.0 113.361 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HE1' HD11 ' A' ' 27' ' ' ILE . 8.0 m80 -67.89 -43.69 78.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.602 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 48.6 mtmt 54.86 42.9 30.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.299 0.374 . . . . 0.0 111.194 -177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -68.33 -23.8 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.219 -174.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.74 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.6 0.238 . . . . 0.0 111.562 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -79.72 -43.03 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.801 0.334 . . . . 0.0 110.868 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -61.47 -34.51 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.834 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -56.81 -42.28 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.055 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 22.6 t80 -62.3 -40.63 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.981 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -65.06 -26.93 68.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.826 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 -46.08 8.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.199 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.9 p -93.78 -23.64 18.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.01 50.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.885 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -102.01 97.91 9.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.483 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.5 Cg_endo -84.33 9.56 4.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.198 2.598 . . . . 0.0 115.113 -166.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 HD13 ' A' ' 11' ' ' ILE . 42.4 mt -131.91 127.71 58.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 111.957 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.6 pp -126.85 154.78 37.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.091 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.692 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.6 tt0 -118.01 141.52 48.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.069 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.98 110.89 3.67 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.505 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 22.1 t80 -95.91 -31.09 13.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.631 0.253 . . . . 0.0 111.65 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.558 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.2 p-10 -81.6 -35.24 0.75 Allowed Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.059 -0.495 . . . . 0.0 112.2 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 1.5 Cg_endo -83.9 123.16 3.14 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.799 1.666 . . . . 0.0 110.888 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 11.9 Cg_exo -71.68 39.67 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.287 2.658 . . . . 0.0 112.932 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -98.33 -53.14 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.664 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.11 84.66 1.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.031 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 36.2 p-90 -147.13 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.39 143.43 14.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.141 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.565 ' HB3' HD11 ' A' ' 66' ' ' ILE . 48.3 t-105 -119.84 128.29 53.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.31 106.75 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -51.7 -61.38 2.29 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.45 HG13 ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -65.37 -21.35 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 2.8 m-20 -89.61 -30.62 18.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 110.179 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.72 28.61 17.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.627 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 81' ' ' ASP . 33.7 m -110.51 144.3 18.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.578 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.464 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 26.7 ttt -110.85 137.64 48.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.037 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.32 150.05 42.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 156.89 22.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.211 0.529 . . . . 0.0 110.755 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 90' ' ' ARG . 90.4 mt -126.6 45.6 2.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.532 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -47.51 -43.56 24.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -103.86 5.93 36.16 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD2' HD22 ' A' ' 87' ' ' LEU . 60.5 mtt180 -115.81 -9.51 11.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.59 0.233 . . . . 0.0 110.398 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.692 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ptm -56.75 138.9 52.34 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.637 -170.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -93.96 116.21 66.15 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.456 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.28 146.96 52.26 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.242 1.962 . . . . 0.0 110.662 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 6.1 p-80 -62.15 130.64 46.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 110.445 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.47 -0.44 56.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.239 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.494 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -159.35 174.69 36.28 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.68 114.04 3.83 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.531 2.154 . . . . 0.0 112.139 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.411 HD11 ' CE2' ' A' ' 69' ' ' TYR . 49.5 mt -94.51 111.4 53.72 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.98 124.93 16.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.921 2.414 . . . . 0.0 112.363 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 100' ' ' ARG . 8.1 tmm_? -84.14 101.65 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.19 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -87.13 -26.01 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.036 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.403 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 3.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.012 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 29.3 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.32 -18.26 60.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.42 -24.86 61.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -58.69 -28.9 38.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 178.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.61 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.76 -12.55 59.17 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.688 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 HD13 HG21 ' A' ' 65' ' ' ILE . 46.5 pt -100.17 152.58 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.01 0.433 . . . . 0.0 110.526 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.465 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.62 177.49 7.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.096 -179.016 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -77.91 104.69 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 ' HA2' ' A' ' 41' ' ' GLY . 25.9 m -93.99 176.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.242 -174.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.6 m -119.73 122.83 28.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 175.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 32.3 Cg_exo -60.69 119.7 7.01 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.827 2.352 . . . . 0.0 112.18 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -79.26 -22.64 44.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.07 148.35 50.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.5 mp -79.06 -68.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.66 -152.79 28.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 45.9 t -82.93 107.65 15.68 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.516 -0.402 . . . . 0.0 110.806 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -45.16 -45.51 11.5 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.891 0.744 . . . . 0.0 111.517 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 tp10 -58.35 -59.15 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.106 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 29' ' ' SER . 63.2 m -61.33 -35.87 78.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 92.0 mt -68.52 -21.23 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 14.2 ptmt -71.41 -20.56 62.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.597 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.82 -6.78 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.473 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.35 44.04 7.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.977 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 42.2 t -110.19 147.78 36.98 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.42 174.74 12.29 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.411 2.074 . . . . 0.0 112.068 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -140.48 -179.65 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.416 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.08 -56.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 40.9 m80 -141.35 163.44 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 92.4 mt -117.56 138.97 51.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.098 0.475 . . . . 0.0 111.256 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HD2' HD12 ' A' ' 66' ' ' ILE . 19.6 mmt85 -121.34 115.44 22.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.272 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.3 tt -96.35 128.58 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.888 0.851 . . . . 0.0 110.068 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -77.99 117.01 18.9 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.907 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.9 mmm180 -72.26 -0.95 13.48 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 m -95.05 -51.65 4.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.843 0.354 . . . . 0.0 111.41 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.8 p -117.69 1.36 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.368 -172.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 71.18 20.03 77.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.863 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -94.9 134.3 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.822 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.61 139.26 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.596 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.51 164.18 25.14 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.0 p -73.43 143.58 46.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.826 0.313 . . . . 0.0 110.236 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 34.5 t -64.59 170.34 4.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.7 p-10 -66.69 -16.52 64.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.708 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.995 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -83.7 133.24 46.89 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.07 -33.65 15.52 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 124.319 3.346 . . . . 0.0 114.51 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.574 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 23.7 m-70 -66.86 -38.0 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.047 -176.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 53.7 mtmt 43.85 44.44 5.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 0.0 112.552 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -75.19 -16.2 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.782 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.6 83.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.796 0.331 . . . . 0.0 110.594 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -71.71 -42.46 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.4 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -61.81 -30.06 70.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.151 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.84 -35.59 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.299 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.14 -27.56 64.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.558 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.69 -52.92 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.81 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.4 p -92.08 -40.66 10.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.66 35.34 6.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.659 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -104.97 102.74 37.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.2 Cg_endo -83.62 -0.3 9.7 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.124 2.549 . . . . 0.0 115.215 -166.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.497 HG21 HD13 ' A' ' 11' ' ' ILE . 49.5 mt -124.21 126.77 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.512 0.672 . . . . 0.0 112.349 -176.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HD2' ' A' ' 35' ' ' ARG . 28.3 pt -127.72 158.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.151 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 36' ' ' ILE . 38.3 tt0 -125.12 151.45 45.71 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.007 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.08 108.36 2.47 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.031 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -96.1 -37.37 10.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.0 110.645 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.63 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 15.8 t70 -71.34 -46.81 13.74 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 176.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 33.2 Cg_endo -98.55 90.01 0.06 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.538 2.158 . . . . 0.0 110.431 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 6.2 Cg_exo -78.13 49.34 2.96 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.46 2.773 . . . . 0.0 112.6 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -84.06 -3.93 58.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.668 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 77.86 68.93 1.45 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.484 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.603 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 60.4 p-90 -140.58 143.11 35.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 178.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.37 137.92 13.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -111.08 130.86 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -111.2 114.49 27.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 65.7 m-85 -54.03 -65.07 0.63 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -172.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -64.92 -20.16 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -89.27 -34.81 16.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.133 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 63.96 28.74 14.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.273 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 81' ' ' ASP . 23.3 m -110.68 148.65 13.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.47 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.4 ttp -120.22 123.74 43.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.522 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -125.94 166.78 16.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -84.16 136.1 34.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.196 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.5 mt -134.73 20.35 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.167 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 47.4 t -57.77 -33.44 68.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 111.745 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -94.63 6.43 48.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.848 0.356 . . . . 0.0 110.712 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -138.79 16.38 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -72.78 168.93 17.79 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.351 0.596 . . . . 0.0 112.49 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -88.53 129.28 49.72 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.03 122.59 9.2 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.225 1.95 . . . . 0.0 111.439 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -61.32 144.4 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.663 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -87.44 -33.35 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.77 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.64 -169.81 22.52 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.184 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.48 143.79 35.16 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.812 2.341 . . . . 0.0 112.055 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.2 mt -118.46 126.72 27.01 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.213 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.74 108.44 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 111.736 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -77.23 111.31 12.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.937 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -100.72 -22.7 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.0 179.049 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -59.24 -24.84 63.52 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 34.9 m170 -62.79 -25.11 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -64.45 -27.57 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.981 0.42 . . . . 0.0 110.72 -177.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 -0.59 18.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 110.961 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.29 11.84 24.01 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.485 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.763 HG12 ' O ' ' A' ' 8' ' ' VAL . 28.6 pt -100.36 152.23 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.167 0.508 . . . . 0.0 110.432 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -132.75 158.98 41.04 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.333 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 58.4 m -74.04 104.47 4.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 20.3 m -98.93 175.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.533 -170.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 38.0 m -109.2 126.95 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.111 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 24.6 Cg_exo -63.45 123.62 12.4 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.876 2.384 . . . . 0.0 112.157 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.9 m -63.57 -28.66 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 172.49 16.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.549 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 8.1 mp -65.82 -54.9 20.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.07 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.23 -144.43 12.1 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.436 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.76 122.18 22.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.612 0.244 . . . . 0.0 110.404 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.57 -44.48 72.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.737 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.64 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 42.4 tt0 -61.42 -45.02 96.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 29' ' ' SER . 92.7 m -63.92 -39.06 93.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.859 0.361 . . . . 0.0 111.072 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.97 -17.57 62.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 23' ' ' GLU . 9.9 ptmt -85.81 -14.04 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.925 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -126.44 -10.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.85 48.84 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.428 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.564 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 29.2 t -109.1 145.72 32.35 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -80.32 -176.03 3.0 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.658 2.239 . . . . 0.0 112.523 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CD1' HD21 ' A' ' 34' ' ' LEU . 5.4 p90 -158.87 162.58 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.486 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.529 HG22 HG21 ' A' ' 102' ' ' VAL . 46.3 t -102.12 -64.81 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 175.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 35.5 m80 -123.39 158.13 31.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.93 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 70' ' ' ASP . 2.9 mm? -119.85 132.15 55.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.614 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 98.9 mtt180 -117.64 116.87 27.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.21 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 67' ' ' GLU . 15.8 tt -96.24 119.12 43.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 122.192 0.996 . . . . 0.0 109.394 175.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.43 109.8 6.38 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.465 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 14.6 mmm-85 -69.36 6.66 0.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -101.2 -49.96 3.92 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.13 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.5 p -118.34 -3.25 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.742 0.306 . . . . 0.0 111.49 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 81.26 8.35 87.33 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 114.389 174.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.444 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 11.1 t-80 -88.15 122.26 31.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 117.683 0.741 . . . . 0.0 109.81 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.49 130.58 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.326 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.08 156.51 22.6 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 4.6 p -73.42 143.34 46.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.915 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 35.6 t -66.54 171.37 5.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.077 -178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 7.4 p-10 -76.87 0.25 21.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 15.0 m-20 -71.51 -22.41 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.406 0.622 . . . . 0.0 109.776 171.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 m -99.4 144.57 28.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.014 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.35 -29.7 39.99 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.543 2.828 . . . . 0.0 113.355 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.1 m-70 -62.54 -49.1 76.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.952 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 51.9 mtmt 51.69 39.37 25.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.091 0.472 . . . . 0.0 111.358 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 -18.77 63.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.53 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . . . -64.11 -40.78 96.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.476 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -79.65 -40.03 30.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -56.73 -37.2 70.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.6 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.46 -44.65 96.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.406 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.16 -38.16 90.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.72 -31.78 72.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.4 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.13 -58.39 2.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -84.3 -30.08 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.61 41.53 12.9 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.816 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -107.0 100.28 31.23 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 84.3 Cg_endo -82.09 1.95 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.97 2.447 . . . . 0.0 114.772 -167.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -125.76 126.89 70.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.462 0.649 . . . . 0.0 111.897 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.61 155.59 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.861 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB3' HG23 ' A' ' 36' ' ' ILE . 42.2 tt0 -117.34 140.94 48.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.034 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.85 106.72 1.84 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.482 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 11.2 t80 -93.24 -34.54 13.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.687 0.279 . . . . 0.0 111.409 -172.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' HB3' HD23 ' A' ' 34' ' ' LEU . 2.6 p-10 -73.62 -35.72 2.69 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.819 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 12.3 Cg_endo -92.7 117.67 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 121.99 1.794 . . . . 0.0 111.355 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.9 Cg_exo -70.81 25.17 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.393 2.729 . . . . 0.0 113.034 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 71' ' ' PRO . 35.8 mm-40 -77.79 -35.86 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.591 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 84.43 0.59 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.293 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -143.58 153.72 42.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.723 0.296 . . . . 0.0 110.493 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.33 135.52 10.3 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.123 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 66.0 t-105 -110.62 128.19 55.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.4 t -106.58 110.52 22.74 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -53.16 -60.15 3.66 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.3 m -67.05 -20.97 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -87.98 -38.96 15.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.169 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 65.64 28.69 11.16 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.825 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 81' ' ' ASP . 34.6 m -115.63 136.38 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.867 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -100.69 124.5 46.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.944 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -117.91 171.06 8.32 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 146.6 24.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.96 0.41 . . . . 0.0 110.263 -175.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.4 mt -137.94 19.43 2.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.002 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -54.82 -38.74 67.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.214 -172.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.06 -21.13 54.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.815 0.341 . . . . 0.0 111.328 -175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -125.98 15.23 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -170.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 ptm -70.26 162.46 28.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 m -84.21 115.24 59.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.29 139.06 81.01 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.447 2.098 . . . . 0.0 111.363 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.482 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 36.9 p-80 -63.55 136.76 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.658 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 19' ' ' LEU . 32.4 p-10 -85.18 -7.45 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.21 174.16 46.8 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.69 115.98 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.813 2.342 . . . . 0.0 111.864 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.6 mt -89.9 114.95 62.67 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.86 118.53 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.357 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.64 113.35 17.72 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.09 -46.99 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.291 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.529 HG21 HG22 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 C--O 1.245 0.85 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.33 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.3 t . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.523 0.201 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -56.8 -26.54 58.19 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -62.49 -26.32 68.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.193 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 11' ' ' ILE . 17.1 t -67.7 -30.87 50.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.15 0.5 . . . . 0.0 110.787 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.64 -6.57 41.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.546 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.84 0.19 22.97 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.157 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 8' ' ' VAL . 40.1 pt -91.82 152.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 117.173 0.487 . . . . 0.0 111.184 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -112.55 176.67 4.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.485 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 29.8 m -95.83 123.12 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.0 m -110.38 167.28 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.345 0.593 . . . . 0.0 112.339 -170.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.5 m -103.04 125.16 36.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.48 173.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.676 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 31.8 Cg_exo -58.65 115.21 2.39 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.793 2.329 . . . . 0.0 112.77 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -56.52 -35.26 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.318 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.99 176.02 9.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.96 -44.57 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.806 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.23 -148.56 7.95 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -72.32 91.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.929 0.364 . . . . 0.0 110.133 175.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.69 -38.08 14.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.604 0.716 . . . . 0.0 110.428 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 69.6 tt0 -61.37 -65.52 0.68 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.449 -1.251 . . . . 0.0 111.521 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.14 -30.08 71.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.68 -27.2 68.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 19.9 ptmt -69.97 -22.8 63.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.777 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 26' ' ' LYS . 21.8 pt -116.84 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.447 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.01 37.3 91.98 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.761 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -105.04 142.17 24.1 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.26 -169.05 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.554 2.169 . . . . 0.0 112.178 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.1 p90 -156.72 167.33 30.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.895 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 22.3 t -96.33 -56.95 4.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.4 m-70 -133.07 176.59 8.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.362 176.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 86.6 mt -128.83 137.84 51.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -174.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 66' ' ' ILE . 96.8 mtt180 -139.47 146.73 40.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 67' ' ' GLU . 9.4 tt -135.43 136.07 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.7 m -64.03 147.98 50.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.072 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.577 ' HD3' ' HB2' ' A' ' 67' ' ' GLU . 9.4 mmm180 -85.9 30.35 0.67 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 170.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -140.06 -74.58 0.35 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.582 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 17.7 p -85.0 -6.53 59.33 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.68 12.1 63.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.068 -0.587 . . . . 0.0 114.116 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -94.28 135.49 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.347 0.574 . . . . 0.0 110.442 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.98 139.05 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.506 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 166.63 26.29 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.57 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 18.7 p -78.35 140.01 38.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 m -80.59 178.55 8.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.334 -173.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.464 ' HB3' HG23 ' A' ' 55' ' ' THR . 12.2 p-10 -77.83 -11.36 59.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 0.0 110.317 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.519 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.4 p30 -77.01 -22.28 53.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 171.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -91.42 146.77 33.97 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.772 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 -40.66 17.61 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.997 3.131 . . . . 0.0 114.707 -173.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 7.9 m170 -67.92 -36.97 81.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 49.35 43.99 23.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.118 0.567 . . . . 0.0 110.998 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -79.14 -26.76 42.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.209 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.92 78.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 HG23 ' HB3' ' A' ' 47' ' ' ASP . 22.3 p -73.79 -47.82 36.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.301 0.572 . . . . 0.0 110.746 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.64 -35.93 82.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.88 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -62.07 -36.44 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.538 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -62.1 -43.01 99.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.016 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -64.82 -34.09 77.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.54 -51.7 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.2 p -99.0 -26.44 14.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 47.33 5.81 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.363 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 40' ' ' CYS . 44.5 m170 -110.9 94.72 21.13 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.07 -6.31 10.34 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.316 2.677 . . . . 0.0 114.752 -168.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.502 HG21 HD13 ' A' ' 11' ' ' ILE . 31.3 mt -122.75 128.72 75.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 111.584 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.63 HD12 ' HD3' ' A' ' 35' ' ' ARG . 5.1 pt -124.85 138.27 54.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.456 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.586 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 7.3 tp10 -89.37 148.95 23.22 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.219 175.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.04 102.81 1.95 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.455 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' ' 16' ' ' PRO . 12.4 t80 -86.35 -33.38 20.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.973 0.416 . . . . 0.0 110.074 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.55 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -69.07 -50.97 19.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.757 175.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.8 Cg_endo -103.44 84.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.874 2.383 . . . . 0.0 111.345 166.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 4.0 Cg_exo -73.42 73.51 3.35 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.818 2.345 . . . . 0.0 111.956 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.28 -10.19 15.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.584 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.24 82.1 1.25 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.656 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.547 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 63.0 p-90 -158.39 151.99 23.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.963 0.411 . . . . 0.0 110.096 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 66' ' ' ILE . . . -125.84 134.6 8.77 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.771 -176.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.553 ' HB3' HG13 ' A' ' 66' ' ' ILE . 68.8 t-105 -101.73 127.63 48.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -100.76 105.76 17.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -46.67 -71.28 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.29 -24.78 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -173.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 3.9 m-20 -83.7 -31.18 26.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.001 0.429 . . . . 0.0 110.338 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.98 28.41 14.42 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.25 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.72 147.12 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.668 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -106.82 150.77 26.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.462 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 23.7 p90 -146.47 168.7 20.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.46 147.03 23.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.021 0.438 . . . . 0.0 110.439 -178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.26 35.07 3.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.602 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -55.22 -38.26 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.698 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.31 -20.77 62.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -127.64 24.26 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.767 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -59.83 141.94 54.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.586 ' HB ' ' HG2' ' A' ' 67' ' ' GLU . 41.9 m -101.14 111.07 62.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.28 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.88 160.7 33.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.766 2.311 . . . . 0.0 112.39 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -66.62 151.79 46.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 41.2 t-20 -69.88 -53.88 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.488 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.48 -156.93 8.14 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.962 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.04 113.52 2.42 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.982 2.455 . . . . 0.0 112.104 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.1 mt -94.01 127.99 42.95 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.678 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.08 103.95 0.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.514 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -82.47 128.5 34.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.558 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.39 -57.52 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.245 0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 178.289 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 30.9 p . . . . . 0 N--CA 1.455 -0.225 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -31.26 12.31 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.49 -23.91 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.59 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -61.5 -29.34 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -178.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.47 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.888 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.57 -32.35 11.71 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.741 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 ' HA ' ' A' ' 8' ' ' VAL . 48.4 pt -75.8 152.61 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 111.395 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.05 174.28 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.405 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 119.16 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.423 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 16.4 m -107.87 156.26 8.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.62 -172.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -96.25 127.11 41.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.168 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.56 122.98 11.03 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.591 2.194 . . . . 0.0 111.967 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -66.89 -32.49 73.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 -178.07 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.763 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.26 -62.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.484 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 31' ' ' TRP . . . -109.05 -152.87 15.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.405 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.4 m -66.9 112.98 4.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CD ' ' HD1' ' A' ' 42' ' ' HIS . 35.9 mt-10 -52.13 -46.23 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.965 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 41.0 tt0 -60.55 -46.05 91.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.462 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 29' ' ' SER . 71.3 m -65.63 -30.25 70.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.685 0.279 . . . . 0.0 111.226 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 89.9 mt -67.7 -22.77 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.9 ptmt -73.0 -20.36 61.03 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.183 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.598 HG23 ' HG3' ' A' ' 26' ' ' LYS . 17.8 pt -125.62 -5.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.91 47.14 9.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.754 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 47.1 t -101.27 141.62 22.97 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 173.1 14.15 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.425 2.083 . . . . 0.0 112.12 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 20' ' ' GLY . 15.0 p90 -149.56 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.212 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.8 t -92.36 -68.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 39.5 m80 -126.74 146.73 50.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 0.0 110.285 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 88.0 mt -96.96 134.15 40.7 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.53 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.7 mtt180 -127.58 118.21 23.5 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 92' ' ' THR . 12.4 tt -96.04 124.12 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.055 0.931 . . . . 0.0 109.808 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.4 t -72.79 112.94 9.29 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.749 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 10.2 mmm180 -72.92 8.69 1.43 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -171.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 m -107.94 -35.87 6.51 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.616 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.27 0.71 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.539 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 74.56 10.98 82.97 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.866 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.4 ' HD1' ' CD ' ' A' ' 22' ' ' GLU . 64.7 m-70 -94.76 143.06 26.75 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.748 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.02 124.92 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.112 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.96 150.88 18.15 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.382 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 p -73.05 126.32 29.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 26.3 p -68.69 177.12 2.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.101 -174.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -73.68 -6.36 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.726 179.062 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -74.13 -22.66 59.36 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 t -90.73 147.6 36.54 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.19 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.56 -9.95 22.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.845 2.364 . . . . 0.0 112.627 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -80.61 -57.75 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.941 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 35.3 mtmt 58.46 41.37 22.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.649 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -73.23 -24.1 60.45 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.37 84.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HE1' ' A' ' 79' ' ' TYR . 17.9 p -68.0 -45.94 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -66.63 -24.89 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.589 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.07 -34.52 78.23 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.869 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.79 -44.92 91.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.66 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -64.35 -26.87 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.869 0.366 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -56.78 3.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.989 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -92.1 -21.34 20.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.4 41.06 31.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.996 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.67 101.52 43.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.7 Cg_endo -81.45 -10.54 12.11 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.908 2.405 . . . . 0.0 115.285 -166.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.65 126.96 74.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.545 0.688 . . . . 0.0 112.397 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' OH ' ' A' ' 79' ' ' TYR . 31.7 pt -128.0 142.86 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.984 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 30.9 tt0 -101.07 145.93 28.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.29 100.24 1.14 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 174.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.715 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.3 t80 -83.09 -39.46 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.934 0.397 . . . . 0.0 110.58 -173.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.574 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 17.5 t70 -76.89 -52.8 1.91 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.802 178.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 31.7 Cg_exo -59.42 119.48 6.74 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.697 1.598 . . . . 0.0 111.961 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 23.1 Cg_exo -66.06 -1.8 5.83 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.251 2.634 . . . . 0.0 112.69 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 35.0 mt-10 -62.1 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.64 79.78 0.65 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.966 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 29.6 p-90 -138.29 165.63 26.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.823 0.344 . . . . 0.0 111.077 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.32 136.32 9.75 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.831 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -104.83 132.33 51.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.0 t -115.23 117.35 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' OH ' HD13 ' A' ' 66' ' ' ILE . 86.8 m-85 -58.07 -67.24 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -63.09 -21.35 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.81 -34.89 20.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 64.45 27.23 13.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.665 -175.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 81' ' ' ASP . 28.1 m -114.71 142.08 28.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.513 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.2 ttm -108.79 113.22 25.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -110.81 152.49 26.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.89 135.09 43.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.21 21.01 4.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.214 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -59.69 -33.8 72.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 111.916 -171.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.05 -20.15 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.174 0.511 . . . . 0.0 110.746 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 90' ' ' ARG . 44.7 mtt180 -122.92 22.58 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.0 ptm -84.2 167.21 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.317 0.58 . . . . 0.0 112.017 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.48 HG21 HD13 ' A' ' 36' ' ' ILE . 27.9 m -87.07 127.68 58.52 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.479 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_exo -66.41 136.42 43.21 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.81 2.34 . . . . 0.0 111.887 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.715 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 42.2 p-80 -78.64 129.56 34.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.21 6.23 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.533 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.36 173.75 37.22 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.72 109.54 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.628 2.219 . . . . 0.0 111.434 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 64.3 mt -80.65 131.21 61.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.365 -176.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 15.2 Cg_exo -68.8 107.9 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.825 2.35 . . . . 0.0 111.989 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -104.11 111.59 24.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -83.72 -25.66 30.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.082 -171.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.523 -175.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 p . . . . . 0 CA--C 1.527 0.072 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -57.61 -26.08 61.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 33.2 m170 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.3 176.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.83 -27.34 40.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-O 121.112 0.482 . . . . 0.0 110.393 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.13 -3.84 41.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.8 -3.55 39.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.863 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 pt -88.07 151.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -117.99 167.49 11.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 m -80.38 99.43 7.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.433 0.635 . . . . 0.0 109.681 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -95.8 166.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.805 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 m -114.37 129.59 24.75 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.235 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.47 131.8 48.37 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.099 2.533 . . . . 0.0 112.927 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.631 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 1.2 m -61.89 -40.65 96.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.62 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 -179.08 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.536 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 19' ' ' LEU . 6.2 mp -78.53 -47.99 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -111.66 -165.0 17.85 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.716 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.733 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 42.8 t -78.85 104.15 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.99 -43.02 50.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.533 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 45.4 tt0 -52.88 -57.4 10.39 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.97 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 27.9 p -70.39 -28.26 64.95 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.199 -0.313 . . . . 0.0 111.146 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.4 -28.18 66.68 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 27' ' ' ILE . 20.2 ptmt -69.05 -23.84 64.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -118.93 2.43 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 0.0 111.232 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.39 46.86 61.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.339 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.764 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 43.8 t -95.82 123.6 55.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 12.7 Cg_exo -69.18 129.59 18.49 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 0.0 112.349 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.437 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 21.0 p90 -94.77 161.35 14.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.275 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.76 -51.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.158 0.504 . . . . 0.0 109.821 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.417 ' HB3' ' NH2' ' A' ' 35' ' ' ARG . 87.5 m-70 -138.37 150.49 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.347 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' HA2' ' A' ' 20' ' ' GLY . 89.6 mt -125.79 135.45 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.584 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -127.14 140.12 52.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.014 0.435 . . . . 0.0 110.343 175.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -102.74 124.8 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.75 109.58 7.37 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.358 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.16 1.87 3.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -95.86 -54.64 3.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.06 0.457 . . . . 0.0 111.177 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.5 -16.85 14.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.105 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.01 13.8 57.19 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.62 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.631 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 6.2 t-80 -91.09 132.75 35.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.353 0.576 . . . . 0.0 110.479 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.9 139.91 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.536 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.75 150.81 22.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.121 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 8.7 p -73.59 148.65 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.9 175.63 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.794 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.0 p-10 -70.01 -20.35 63.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.82 -24.24 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.355 0.598 . . . . 0.0 110.157 175.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 m -86.74 148.94 47.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.492 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.56 4.23 0.88 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.246 2.63 . . . . 0.0 114.435 -170.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.8 m-70 -109.86 -27.57 9.21 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.344 . . . . 0.0 111.695 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 44.0 mtmt 49.62 41.63 21.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.043 0.449 . . . . 0.0 110.757 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -69.31 -21.9 63.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.311 -171.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.78 -46.56 30.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.327 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 p -72.05 -45.31 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.34 -39.57 67.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.812 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.86 -42.71 97.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.269 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.75 -42.02 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -64.92 -27.7 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.47 -44.64 11.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -98.07 -31.95 11.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.55 35.47 13.87 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.797 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -103.21 98.73 12.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 97.7 Cg_endo -84.05 7.14 5.36 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.977 2.451 . . . . 0.0 115.077 -166.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.7 124.91 60.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.396 0.617 . . . . 0.0 112.019 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 35' ' ' ARG . 38.6 pt -126.33 141.31 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.935 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 36' ' ' ILE . 37.1 tt0 -103.05 143.87 32.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.162 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 71' ' ' PRO . . . -67.52 104.71 1.19 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.644 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -93.63 -31.26 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.529 0.204 . . . . 0.0 111.051 -175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.561 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.9 p-10 -79.28 -34.63 0.94 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.907 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 33.8 Cg_endo -99.01 109.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.357 2.038 . . . . 0.0 112.084 172.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.76 34.19 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 123.323 2.682 . . . . 0.0 113.056 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.8 mt-10 -78.91 -29.21 44.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.336 0.588 . . . . 0.0 109.789 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.86 76.8 1.19 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 57.3 p-90 -152.08 158.62 43.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 177.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.6 145.12 16.8 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.926 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -109.23 132.32 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -112.11 110.29 20.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 74.8 m-85 -52.21 -60.13 3.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 81' ' ' ASP . 19.0 m -66.99 -20.53 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -90.57 -31.9 16.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 110.326 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 68.81 20.84 7.91 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.778 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 m -113.73 145.92 18.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.903 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.0 ttp -110.5 107.96 17.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.56 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 78' ' ' CYS . 25.0 p90 -103.28 167.59 9.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.29 132.41 33.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.098 0.475 . . . . 0.0 111.448 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.0 mt -126.7 27.06 6.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.98 -15.26 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.604 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -103.48 -5.86 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.514 0.197 . . . . 0.0 111.28 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -132.64 8.48 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.623 -176.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -60.24 145.07 48.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.299 0.571 . . . . 0.0 112.17 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.9 m -71.42 132.74 85.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.299 -176.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.5 Cg_exo -66.55 117.45 4.74 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.658 2.239 . . . . 0.0 111.58 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -61.84 141.76 57.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.45 -1.09 57.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.54 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.17 179.15 42.88 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.161 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.92 115.7 3.84 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.253 2.635 . . . . 0.0 111.77 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.94 127.88 67.81 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 113.47 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.685 2.256 . . . . 0.0 111.733 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.89 106.65 18.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.31 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -84.41 -29.05 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 177.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.178 -179.313 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 16.0 ptt-85 -56.46 -29.49 61.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.852 0.358 . . . . 0.0 111.88 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -64.1 -24.61 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.515 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -62.2 -28.25 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.76 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.11 0.85 8.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.703 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.89 7.45 13.13 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.099 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 8' ' ' VAL . 32.1 pt -101.58 146.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.225 0.513 . . . . 0.0 111.134 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 13.5 ptm180 -132.54 172.49 12.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.83 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -80.36 99.63 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 14' ' ' VAL . 6.9 m -91.14 157.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.236 -171.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m -83.17 123.89 76.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.241 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.9 Cg_exo -61.8 119.21 6.22 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.678 2.252 . . . . 0.0 112.107 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -75.77 -28.43 58.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.9 162.44 35.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.963 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' HA3' ' A' ' 96' ' ' GLY . 86.9 mt -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -147.89 -128.23 1.77 Allowed Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.335 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -88.54 105.07 17.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -38.65 84.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.09 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 44.0 tt0 -67.82 -46.01 73.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 29' ' ' SER . 83.2 m -58.61 -33.54 70.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.01 -15.89 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.1 ptmt -77.69 -22.43 50.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 -178.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 26' ' ' LYS . 26.6 pt -123.23 1.04 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.597 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.19 37.84 54.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.279 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 36.8 t -88.49 129.7 48.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.651 0.262 . . . . 0.0 110.425 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.43 139.39 20.67 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.522 2.148 . . . . 0.0 112.221 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 34' ' ' LEU . 15.0 p90 -107.97 174.38 5.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.626 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 40.2 t -104.68 -59.04 3.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.35 157.81 45.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.68 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' HA2' ' A' ' 20' ' ' GLY . 91.7 mt -128.04 146.99 50.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.812 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.751 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -135.4 134.34 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.138 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.7 tt -97.61 122.15 48.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.862 0.839 . . . . 0.0 109.322 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.1 109.19 9.56 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.144 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.1 6.41 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 m -102.07 -33.86 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.484 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.53 -17.64 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.841 -173.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.99 9.1 59.88 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.507 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -88.21 127.53 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.259 -0.553 . . . . 0.0 109.889 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.3 t -95.19 136.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.78 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.51 161.99 27.33 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.932 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 28.3 p -76.14 145.2 40.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 74.1 m -72.73 -178.78 2.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.847 0.356 . . . . 0.0 111.354 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.21 -32.88 73.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.98 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.626 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -56.82 -32.02 65.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.822 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 15.3 m -86.02 136.61 36.0 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.142 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.45 -26.0 60.89 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.482 2.788 . . . . 0.0 114.302 -171.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -80.13 -14.06 58.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.27 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 37.59 54.68 1.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -76.18 -16.0 59.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.141 -0.349 . . . . 0.0 111.321 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.751 ' HA ' ' CZ ' ' A' ' 35' ' ' ARG . . . -69.18 -47.5 64.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.283 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -76.08 -49.81 16.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.572 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -62.39 -36.92 83.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.64 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -63.33 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.781 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.49 -44.84 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -70.72 -27.53 64.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.29 -43.36 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.183 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.3 p -103.56 -37.1 7.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.71 44.71 4.79 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.362 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -114.91 99.07 51.6 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.4 Cg_endo -83.79 0.82 9.19 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.963 2.442 . . . . 0.0 115.026 -167.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 11' ' ' ILE . 42.5 mt -125.66 130.54 72.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.57 0.7 . . . . 0.0 112.058 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG21 ' HE ' ' A' ' 35' ' ' ARG . 42.9 pt -131.59 155.26 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.196 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 38.7 tt0 -117.21 142.68 46.74 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.97 102.45 0.85 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.844 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.535 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.2 t80 -88.18 -30.85 19.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 0.0 110.434 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.522 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -79.32 -54.93 0.94 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.36 176.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 70' ' ' ASP . 41.7 Cg_endo -68.43 119.8 6.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.605 1.537 . . . . 0.0 111.899 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.68 36.99 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.166 2.577 . . . . 0.0 113.0 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.7 mt-10 -98.83 -37.56 9.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.55 75.47 0.89 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.022 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 41.0 p-90 -139.38 159.76 41.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.754 0.312 . . . . 0.0 110.637 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.65 141.11 14.81 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.283 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -112.84 135.0 54.09 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 5.8 t -112.28 111.75 22.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 78.3 m-85 -52.74 -63.05 1.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -170.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.64 -21.55 27.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.29 -37.8 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.025 0.44 . . . . 0.0 110.121 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 66.65 22.05 10.52 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.638 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 81' ' ' ASP . 32.8 m -105.76 137.84 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.07 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.0 ttm -107.51 129.63 54.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.806 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -129.68 151.06 50.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 143.54 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.165 0.507 . . . . 0.0 110.643 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -126.46 24.04 6.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.656 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -53.93 -31.0 48.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.53 -20.8 39.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.752 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 90' ' ' ARG . 50.7 mtt180 -118.46 12.02 13.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.576 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.9 ptm -65.13 142.71 58.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.241 0.543 . . . . 0.0 112.299 -168.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 4.2 m -84.47 120.4 74.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.401 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 92' ' ' THR . 29.2 Cg_endo -63.91 134.76 44.78 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.384 2.056 . . . . 0.0 111.449 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.535 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 9.3 p80 -72.78 125.09 26.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.61 13.93 7.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.683 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.495 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -165.92 168.19 39.58 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.803 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.53 93.14 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.001 2.467 . . . . 0.0 111.07 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 48.1 mt -75.85 118.11 68.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -175.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 13.0 Cg_exo -69.65 104.91 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.938 2.425 . . . . 0.0 112.737 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 102' ' ' VAL . 12.3 tpp85 -80.52 118.34 22.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.38 -29.7 16.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.496 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 100' ' ' ARG . 7.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.371 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.6 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.41 -23.13 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.52 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 31.4 m170 -58.33 -25.62 62.15 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 174.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.85 -27.33 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.042 -176.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -6.22 35.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.717 0.294 . . . . 0.0 111.608 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.05 -1.08 45.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.737 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 35.0 pt -101.28 152.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.686 0.279 . . . . 0.0 110.541 178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 -175.71 3.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.178 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 m -81.82 101.46 10.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 37' ' ' CYS . 27.5 m -95.84 165.16 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 m -121.34 127.99 25.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.881 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 95' ' ' ASN . 57.8 Cg_endo -72.74 142.34 35.5 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.48 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -111.42 8.21 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.13 145.82 27.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.37 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' HA3' ' A' ' 96' ' ' GLY . 83.0 mt -69.23 -49.3 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.081 0.467 . . . . 0.0 110.435 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.32 -142.04 4.94 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.336 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 53.9 t -74.48 105.12 5.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.351 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -46.4 -44.92 17.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.797 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp10 -61.19 -51.18 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.244 0.545 . . . . 0.0 110.648 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 29' ' ' SER . 61.2 m -66.22 -33.56 76.03 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.0 -21.56 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.8 ptmt -72.97 -23.9 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.166 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.576 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.71 -10.46 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.44 52.3 3.8 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.266 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 21.6 t -105.87 143.07 26.14 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.21 162.67 39.99 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.528 2.152 . . . . 0.0 112.542 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -145.13 163.78 33.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD2' ' A' ' 33' ' ' HIS . 47.9 t -89.15 -68.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.273 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.641 ' CD2' HG12 ' A' ' 32' ' ' VAL . 99.1 m-70 -139.77 166.89 23.4 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 2.6 mm? -111.69 147.16 36.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 0.0 111.571 -174.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 99.6 mtt180 -125.63 135.76 52.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.766 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -125.9 138.78 53.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' H ' ' A' ' 39' ' ' THR . 72.9 m -65.49 147.47 53.37 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.218 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.593 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 8.3 mmm180 -88.26 6.49 36.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.445 0.64 . . . . 0.0 109.492 168.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.459 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -102.02 -67.77 0.85 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.458 -179.32 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.31 -34.31 11.12 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.43 10.9 55.28 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.422 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -82.46 130.53 35.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.72 144.83 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.6 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.14 171.75 30.06 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 31.5 p -89.78 155.75 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.345 0.573 . . . . 0.0 110.292 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 78.3 m -58.7 160.17 5.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 175.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.41 -5.0 45.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.04 -44.91 87.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -71.7 131.22 86.23 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.79 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -42.75 -39.2 7.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 124.311 3.341 . . . . 0.0 114.71 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -42.2 76.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.564 0.221 . . . . 0.0 111.509 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt 48.14 53.03 12.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.392 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -69.14 -27.99 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.207 -174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.28 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.405 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -72.26 -40.47 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.182 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.23 -47.73 82.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.155 0.502 . . . . 0.0 109.786 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -64.48 -36.2 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.024 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.21 -46.37 85.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.591 0.234 . . . . 0.0 110.376 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.79 0.329 . . . . 0.0 111.091 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.28 26.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.127 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -108.6 -6.95 15.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.39 54.52 31.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.382 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -118.22 91.89 41.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.5 -15.58 13.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.012 2.475 . . . . 0.0 113.911 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 7' ' ' HIS . 63.9 mt -105.59 119.96 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.745 0.783 . . . . 0.0 111.525 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.452 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 24.6 pt -121.94 168.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.03 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -135.16 151.59 50.81 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.99 101.31 0.64 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.884 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 52.0 t80 -80.72 -31.54 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.224 0.535 . . . . 0.0 110.917 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 18.1 t70 -78.87 -51.35 1.37 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 4.2 Cg_exo -78.02 119.84 4.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.117 1.878 . . . . 0.0 111.793 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.1 Cg_exo -74.71 37.03 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.303 2.669 . . . . 0.0 112.964 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -90.49 -50.12 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.221 0.534 . . . . 0.0 110.661 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.37 69.83 1.02 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.062 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -133.64 146.48 50.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.33 151.71 18.34 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.67 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.442 ' HB3' HG13 ' A' ' 66' ' ' ILE . 61.0 t-105 -125.39 134.08 52.28 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 11.1 t -109.48 102.86 11.7 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -47.76 -53.57 14.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.479 HG23 ' OD1' ' A' ' 81' ' ' ASP . 20.2 m -68.09 -21.3 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 8.1 m-20 -96.31 -31.63 12.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.601 0.238 . . . . 0.0 110.709 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 69.57 23.05 6.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.807 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.62 145.07 18.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttm -108.01 130.35 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.648 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -130.62 161.3 31.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.877 0.37 . . . . 0.0 111.434 -176.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.01 128.0 33.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.522 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.26 18.23 6.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.298 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 t -61.65 -24.12 66.51 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -171.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -79.69 -11.23 59.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.002 0.43 . . . . 0.0 110.957 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -127.6 4.99 6.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 -176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 24.8 ptm -52.9 141.84 20.84 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.954 0.784 . . . . 0.0 113.059 -166.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.0 m -102.2 99.07 11.6 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.992 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 91' ' ' MET . 15.2 Cg_exo -69.02 158.04 59.48 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.674 2.25 . . . . 0.0 111.457 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 p-80 -74.95 136.17 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.417 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . 35.3 p-10 -72.81 -16.17 61.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.068 -172.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.509 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -146.49 164.95 28.38 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.023 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.12 113.58 2.46 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.636 2.224 . . . . 0.0 111.505 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.7 mt -80.88 129.32 68.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.12 123.97 14.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.803 2.335 . . . . 0.0 111.906 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -90.67 97.82 11.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.751 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -82.16 -47.55 12.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.909 0.385 . . . . 0.0 110.057 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.228 -179.757 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HB2' ' HB3' ' A' ' 86' ' ' ASP . 26.9 ttt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.488 0.185 . . . . 0.0 110.67 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 49.5 m -151.41 144.28 24.47 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.6 mtt -59.93 120.36 9.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 110.245 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 124.56 8.87 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.927 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.1 p -64.64 167.29 7.46 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 122.248 0.219 . . . . 0.0 110.531 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -21.89 11.22 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -61.97 -30.34 70.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.672 0.272 . . . . 0.0 111.408 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.1 t -67.62 -29.43 45.3 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.335 0 CA-C-O 121.191 0.52 . . . . 0.0 110.443 -177.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.95 -12.62 60.19 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.469 -176.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.85 7.21 23.83 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.971 -177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 8' ' ' VAL . 48.2 pt -100.62 147.11 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 117.154 0.477 . . . . 0.0 110.522 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.31 -175.07 3.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.776 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.546 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 50.6 m -86.72 121.82 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.803 173.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -116.4 -174.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.523 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -124.2 127.47 25.32 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 27.1 Cg_exo -63.25 147.82 93.54 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 123.083 2.522 . . . . 0.0 112.412 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.407 ' HB3' ' OE2' ' A' ' 22' ' ' GLU . 10.6 t -80.08 -31.01 39.33 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -178.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.413 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . . . -140.48 -170.85 3.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.726 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD22 ' HA3' ' A' ' 96' ' ' GLY . 35.1 mt -91.15 7.18 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.333 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -178.9 -155.86 15.76 Favored Glycine 0 N--CA 1.442 -0.961 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.053 -178.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.3 t -69.72 107.31 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 18' ' ' ALA . 19.3 mp0 -55.87 -39.88 72.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.18 -175.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -65.08 -43.15 93.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.812 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.0 m -67.91 -33.07 73.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.976 0.417 . . . . 0.0 110.476 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.09 -23.89 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.4 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -70.83 -20.91 62.51 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 110.483 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.23 8.25 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 58.85 44.3 96.07 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.443 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.3 m -113.85 145.5 33.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 120.745 0.307 . . . . 0.0 110.949 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.93 167.69 26.66 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.916 2.41 . . . . 0.0 112.827 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -134.78 166.58 22.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.83 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' CD2' ' A' ' 33' ' ' HIS . 43.1 t -90.55 -64.28 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.5 m-70 -142.62 163.78 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 94.4 mt -120.68 139.52 52.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.111 0.482 . . . . 0.0 112.086 -171.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' HD13 ' A' ' 66' ' ' ILE . 99.2 mtt180 -124.4 120.48 32.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.534 175.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.5 tt -110.94 137.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.17 -0.308 . . . . 0.0 110.17 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.96 148.15 52.25 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.604 177.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 9.2 mmm180 -87.66 23.65 1.91 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.221 0.534 . . . . 0.0 109.672 171.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -129.17 -73.07 0.58 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.407 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 p -85.1 -16.84 39.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.713 0.292 . . . . 0.0 111.436 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 16' ' ' PRO . . . 77.08 13.58 83.51 Favored Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.34 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -90.07 142.01 28.12 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 44' ' ' GLY . 3.6 t -97.44 166.37 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.125 0.488 . . . . 0.0 110.457 -174.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.402 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -170.99 147.81 10.73 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.606 175.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 4.8 p -72.93 145.51 46.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.864 0.332 . . . . 0.0 110.217 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 48' ' ' ASP . 8.6 p -64.39 169.98 4.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.718 -176.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.553 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.4 p-10 -71.82 -16.68 62.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.447 . . . . 0.0 110.06 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.463 ' HB3' ' SG ' ' A' ' 46' ' ' CYS . 34.0 t70 -65.67 -26.43 67.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.709 173.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -84.49 140.91 38.76 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.217 174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.81 -19.84 69.65 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.603 2.202 . . . . 0.0 112.89 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.666 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.2 t60 -75.59 -35.85 60.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.366 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 98.1 mttt 49.81 58.88 4.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.46 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -77.36 -36.85 53.26 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.837 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.96 86.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.73 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 17.7 p -75.31 -46.94 30.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.543 -177.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -63.75 -38.28 90.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.793 0.33 . . . . 0.0 110.462 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -63.54 -41.83 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.487 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -56.62 -48.1 78.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.783 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.6 -31.03 71.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.22 49.81 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.6 p -107.37 -30.35 8.74 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.63 45.73 5.68 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.515 -0.85 . . . . 0.0 111.986 -175.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -116.06 93.3 38.15 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 89.5 Cg_endo -78.66 -18.1 12.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.905 2.403 . . . . 0.0 114.352 -169.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.419 HG21 HD13 ' A' ' 11' ' ' ILE . 51.3 mt -106.87 121.77 60.07 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 121.367 0.603 . . . . 0.0 111.571 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.19 155.59 36.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.711 178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -121.59 145.41 48.01 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.716 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.67 107.39 2.17 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.29 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.614 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.6 t80 -92.51 -44.63 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.732 -176.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.547 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 1.4 t70 -60.86 -47.8 94.64 Favored Pre-proline 0 CA--C 1.536 0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 175.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 43.4 Cg_endo -98.87 91.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 122.628 2.219 . . . . 0.0 111.08 165.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.84 54.63 3.62 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.994 2.462 . . . . 0.0 112.923 -174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.8 mt-10 -69.44 -36.91 77.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.804 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.64 58.1 0.86 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.27 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 55.8 p-90 -137.97 155.71 48.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.799 0.333 . . . . 0.0 110.41 178.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.41 126.63 6.15 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.713 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 41.1 t-105 -103.87 129.47 51.36 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.6 t -108.26 105.39 15.08 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -50.83 -50.15 57.18 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.469 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.9 m -67.78 -21.78 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.8 m-20 -98.76 -32.63 11.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.878 0.37 . . . . 0.0 110.542 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 69.82 18.95 7.27 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.565 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.7 m -100.8 140.04 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.624 177.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.508 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 37.9 ttp -112.48 108.88 18.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.903 177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.5 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 44.3 p90 -108.84 179.94 4.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 -176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.3 p-10 -94.74 139.84 30.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.397 0.617 . . . . 0.0 112.244 -173.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 79.7 mt -137.77 41.77 2.33 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.611 174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.9 t -63.22 -35.98 82.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.251 -170.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.31 -10.21 21.52 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.082 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -103.25 -2.83 26.57 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.463 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.0 ptp -49.52 139.86 11.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.991 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 13.6 m -69.94 125.02 91.78 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.27 -176.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 25.4 Cg_exo -63.54 155.99 59.45 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.87 2.38 . . . . 0.0 111.596 176.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.614 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 25.1 p-80 -81.59 130.41 35.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.163 0.506 . . . . 0.0 110.783 -177.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -92.35 2.32 56.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.133 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.462 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . 169.04 -172.88 43.47 Favored Glycine 0 N--CA 1.444 -0.82 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.92 179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -88.19 113.83 0.81 Allowed 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.001 2.467 . . . . 0.0 111.957 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 30.3 mt -78.49 120.41 80.94 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.671 -179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 10.8 Cg_exo -71.19 103.4 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.871 2.38 . . . . 0.0 112.509 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 -81.0 106.05 12.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -85.03 -43.43 13.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.016 -0.992 . . . . 0.0 111.424 -177.1 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 tpt . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 120.852 0.358 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -164.98 168.03 17.9 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.8 mmt -76.32 -15.83 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.239 0.542 . . . . 0.0 110.303 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.47 -112.57 3.49 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.932 174.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 8' ' ' VAL . 26.4 p -165.03 166.1 19.53 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 -178.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -63.68 -15.79 59.32 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -62.11 -27.04 68.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.847 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.574 ' O ' HG12 ' A' ' 11' ' ' ILE . 19.7 t -67.0 -29.39 46.1 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 121.154 0.502 . . . . 0.0 110.397 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.9 -8.7 50.81 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.708 -175.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.41 -19.26 14.38 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.759 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 8' ' ' VAL . 41.4 pt -81.92 152.05 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.008 0.432 . . . . 0.0 110.881 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.46 177.64 7.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.334 -178.41 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 m -82.17 108.92 16.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.0 m -100.38 176.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.056 -170.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.5 m -99.99 126.15 37.65 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.82 176.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 20.2 Cg_exo -65.74 110.88 1.76 Allowed 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.561 2.174 . . . . 0.0 111.78 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 t -70.67 -16.0 62.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.197 -178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.64 161.71 37.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.55 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD12 ' HA3' ' A' ' 96' ' ' GLY . 2.8 mm? -89.69 -42.82 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.236 0.541 . . . . 0.0 109.876 174.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -133.77 -148.0 5.77 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 176.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.45 100.0 5.85 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.155 -0.684 . . . . 0.0 109.155 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -36.35 73.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.409 -175.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.3 tt0 -63.33 -42.15 98.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 29' ' ' SER . 95.9 m -67.96 -35.08 77.78 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.943 0.401 . . . . 0.0 110.419 177.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.1 mt -67.98 -16.12 63.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.989 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HG3' HG23 ' A' ' 27' ' ' ILE . 35.6 pttt -81.78 -22.43 37.19 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.711 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.567 HG23 ' HG3' ' A' ' 26' ' ' LYS . 10.0 pt -127.59 6.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.69 45.85 33.52 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.279 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.508 ' OG ' HG13 ' A' ' 27' ' ' ILE . 49.8 m -106.22 153.04 40.59 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 120.72 0.295 . . . . 0.0 110.785 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -85.29 172.27 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.795 2.33 . . . . 0.0 113.099 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.9 p90 -151.14 155.83 39.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.737 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 102' ' ' VAL . 21.2 t -97.94 -57.99 4.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.749 -0.381 . . . . 0.0 110.352 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -131.84 164.39 26.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.456 HD13 ' HA2' ' A' ' 20' ' ' GLY . 77.3 mt -133.4 130.26 38.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.102 -174.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.686 ' HG3' ' SG ' ' A' ' 46' ' ' CYS . 19.1 mtm180 -126.23 125.43 42.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.085 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tt -105.8 141.08 21.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.701 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.48 ' HB3' ' H ' ' A' ' 39' ' ' THR . 63.7 m -65.41 142.38 58.21 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.664 174.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -87.55 6.63 33.4 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.566 0.698 . . . . 0.0 109.234 168.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.48 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -103.85 -72.28 0.71 Allowed 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.218 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.9 p -92.84 -4.15 53.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.889 -173.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 68.94 15.43 69.28 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.846 -0.693 . . . . 0.0 113.938 177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -92.61 136.82 32.9 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.248 -0.56 . . . . 0.0 109.945 179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.8 t -93.82 139.08 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.433 -177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -133.98 142.96 14.52 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.975 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 18.0 p -72.65 139.99 47.68 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.686 ' SG ' ' HG3' ' A' ' 35' ' ' ARG . 77.1 m -62.43 171.84 1.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.677 0.751 . . . . 0.0 112.596 -173.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.2 p-10 -75.93 -4.64 42.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.723 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.564 ' OD1' ' HB2' ' A' ' 46' ' ' CYS . 3.1 p-10 -88.45 -8.85 54.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.562 175.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 26.6 m -97.33 155.7 37.06 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.788 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 49' ' ' SER . 11.3 Cg_endo -54.76 -30.3 66.49 Favored 'Trans proline' 0 N--CA 1.475 0.433 0 C-N-CA 123.507 2.805 . . . . 0.0 114.318 -173.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -88.35 -32.99 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.545 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 52.3 mtmt 53.03 36.08 21.18 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.2 0.524 . . . . 0.0 110.586 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -66.07 -27.66 68.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.561 -173.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.9 92.58 Favored 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.2 p -75.43 -44.59 43.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.95 0.405 . . . . 0.0 110.395 -178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -58.06 -43.09 86.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.332 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -57.86 -43.93 86.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.977 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -57.81 -48.65 79.11 Favored 'General case' 0 C--O 1.225 -0.212 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.183 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -66.91 -26.5 66.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.727 0.299 . . . . 0.0 111.277 -175.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -53.21 6.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.72 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -84.42 -30.28 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.53 45.47 6.86 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.997 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -114.64 93.96 35.01 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.451 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 72.5 Cg_endo -77.58 -18.9 13.35 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.704 2.27 . . . . 0.0 113.907 -171.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 11' ' ' ILE . 45.0 mt -105.1 124.07 59.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.806 0.812 . . . . 0.0 111.872 -177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.449 HD12 ' NE ' ' A' ' 35' ' ' ARG . 12.2 pt -131.2 161.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.88 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 39.3 tt0 -128.02 149.39 50.39 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.05 106.23 1.59 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.901 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -86.15 -41.84 14.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.894 0.378 . . . . 0.0 110.632 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.508 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 0.5 OUTLIER -79.96 -37.43 1.1 Allowed Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.902 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.508 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 8.3 Cg_endo -89.49 117.46 0.76 Allowed 'Trans proline' 0 C--N 1.363 1.338 0 C-N-CA 122.225 1.95 . . . . 0.0 111.821 176.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 8.0 Cg_exo -73.29 28.15 0.3 Allowed 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.369 2.713 . . . . 0.0 113.509 -176.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.418 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 18.2 mm-40 -79.85 -28.63 40.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.853 0.358 . . . . 0.0 110.641 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.45 70.91 1.14 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.434 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.418 ' HD1' ' HB2' ' A' ' 73' ' ' GLU . 62.6 p-90 -132.37 152.29 51.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.773 0.32 . . . . 0.0 110.594 179.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.23 136.8 12.54 Favored Glycine 0 N--CA 1.441 -0.98 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.963 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -116.28 135.28 54.03 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 64' ' ' PRO . 8.6 t -115.93 104.48 11.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -45.96 -52.58 11.44 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.771 0.669 . . . . 0.0 112.759 -174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 81' ' ' ASP . 30.3 m -70.52 -20.28 22.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 1.4 m-20 -97.95 -34.47 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.596 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 64.75 26.72 13.06 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.843 -175.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.5 m -109.21 137.61 40.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.98 174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 56.9 ttp -106.96 127.66 53.64 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.014 177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 27.3 p90 -125.38 162.85 23.87 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -83.67 141.54 31.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.012 0.434 . . . . 0.0 110.236 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.1 mt -130.19 10.19 5.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.981 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.535 ' HA ' ' HB3' ' A' ' 91' ' ' MET . 22.9 t -57.14 -23.68 49.03 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.488 -176.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -67.63 -22.25 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.376 178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.4 mtt85 -139.49 18.96 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.071 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.535 ' HB3' ' HA ' ' A' ' 88' ' ' SER . 24.5 ptm -64.42 147.68 52.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -166.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -100.25 101.51 14.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.741 175.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.41 158.66 29.28 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.395 2.063 . . . . 0.0 112.562 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -74.58 110.66 9.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.174 0.511 . . . . 0.0 109.967 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -80.84 -22.24 40.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.639 -173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.58 ' HA3' HD12 ' A' ' 19' ' ' LEU . . . -107.79 160.98 13.7 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.519 -177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -73.97 98.3 1.07 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 123.082 2.522 . . . . 0.0 111.518 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 HD12 ' A' ' 34' ' ' LEU . 61.4 mt -81.19 123.85 81.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.806 -178.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.04 116.98 3.64 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.58 2.187 . . . . 0.0 111.573 175.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -80.96 106.15 12.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.933 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -86.38 -21.7 27.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.011 0.434 . . . . 0.0 110.451 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 32' ' ' VAL . 5.2 m . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.021 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.935 ' HG3' ' HA ' ' A' ' 85' ' ' PHE . 51.0 ttp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.718 0.294 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 3' ' ' MET . 1.5 t -103.42 -62.13 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.817 177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.497 ' H ' HG23 ' A' ' 2' ' ' THR . 14.5 mmt -160.91 156.18 24.56 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 122.348 0.259 . . . . 0.0 110.567 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.34 -159.97 33.3 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 171.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.2 p -168.31 166.26 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.527 0.663 . . . . 0.0 111.436 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -52.81 -31.35 38.3 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.292 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -61.37 -24.25 66.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.611 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.88 -27.46 41.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.994 0.426 . . . . 0.0 110.981 -177.019 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.39 -1.34 32.96 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.127 -0.358 . . . . 0.0 111.365 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.72 -4.4 45.8 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.31 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.651 HG12 ' O ' ' A' ' 8' ' ' VAL . 22.9 pt -100.56 153.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.028 0.442 . . . . 0.0 110.587 178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -129.43 167.65 17.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.868 177.68 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.43 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 9.9 m -81.28 102.87 10.68 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.46 0.647 . . . . 0.0 109.749 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.68 -179.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.247 -173.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.7 m -115.88 135.84 22.8 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.468 177.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HB2' ' HB2' ' A' ' 95' ' ' ASN . 37.1 Cg_exo -60.71 120.94 8.95 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.575 2.184 . . . . 0.0 112.481 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 40.8 t -74.28 -26.08 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.382 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.46 171.32 15.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mp -89.41 -46.28 8.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.328 0.585 . . . . 0.0 109.623 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.05 -164.49 25.78 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.527 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 53.0 t -63.61 118.94 8.93 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -61.2 -18.43 58.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.389 -173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 39.8 tt0 -91.36 -55.94 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.848 0.356 . . . . 0.0 110.512 176.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 68.9 m -57.74 -29.24 64.61 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -174.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 79.9 mt -60.43 -24.4 65.15 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 23.0 ptmt -70.34 -29.54 66.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.614 0.245 . . . . 0.0 111.292 -176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 26' ' ' LYS . 24.6 pt -113.45 -9.8 12.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.75 0.31 . . . . 0.0 111.357 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.25 39.31 52.48 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.232 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.7 p -88.51 145.97 36.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.586 0.231 . . . . 0.0 110.676 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -68.23 159.05 54.89 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.771 2.314 . . . . 0.0 112.744 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -143.44 161.08 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.041 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.3 t -95.46 -50.06 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.561 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -141.14 157.96 44.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.68 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 94.9 mt -127.64 137.2 52.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.264 -176.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -135.45 132.31 37.26 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.035 0.445 . . . . 0.0 110.414 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HD13 HG21 ' A' ' 92' ' ' THR . 15.1 tt -96.51 131.25 43.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.797 0.808 . . . . 0.0 109.831 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.2 t -75.24 112.8 11.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.635 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.17 5.92 1.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -106.19 -37.77 6.47 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.648 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.2 p -134.18 4.82 3.5 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.859 -173.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.55 11.9 80.29 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 0.0 113.918 174.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -84.11 130.0 34.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -177.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.9 t -94.89 126.99 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.011 0.434 . . . . 0.0 110.694 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.69 156.98 22.16 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.993 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.0 p -78.98 149.18 32.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.682 0.277 . . . . 0.0 110.293 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.9 t -59.97 155.94 15.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.051 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.552 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 9.2 p-10 -63.07 -18.89 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.729 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -39.62 86.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.291 0.567 . . . . 0.0 110.195 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -74.71 142.2 76.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.757 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -49.57 -30.53 21.89 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.938 3.092 . . . . 0.0 114.085 -173.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -64.92 -42.42 94.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.745 -0.207 . . . . 0.0 111.357 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 61.6 mttm 51.45 37.05 18.25 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -70.2 -16.94 63.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.58 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.94 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.658 0.266 . . . . 0.0 110.837 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.2 p -69.12 -39.48 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.175 0.512 . . . . 0.0 110.406 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.57 -43.6 97.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.618 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -59.72 -37.38 78.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.749 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -58.82 -47.03 86.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.877 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -71.41 -30.98 66.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.867 0.365 . . . . 0.0 110.738 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.51 -46.48 39.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.044 -0.525 . . . . 0.0 112.313 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.3 p -101.54 -21.53 14.72 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -175.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.7 44.7 10.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.531 -0.843 . . . . 0.0 111.723 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -117.89 98.46 51.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.52 -4.54 12.33 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.2 2.6 . . . . 0.0 115.034 -168.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.422 HG21 HD13 ' A' ' 11' ' ' ILE . 42.3 mt -126.79 129.72 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.616 0.722 . . . . 0.0 111.991 -177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.515 HD13 ' OH ' ' A' ' 79' ' ' TYR . 22.9 pt -127.85 173.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.613 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' CD ' HH11 ' A' ' 38' ' ' ARG . 35.2 tt0 -134.08 143.26 47.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.289 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.88 105.83 1.3 Allowed Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -93.43 -38.71 11.29 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.568 0.223 . . . . 0.0 111.164 -173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.6 p-10 -72.06 -37.4 4.88 Favored Pre-proline 0 CA--C 1.541 0.617 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.522 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 96.7 Cg_endo -87.41 130.41 2.83 Favored 'Trans proline' 0 C--N 1.359 1.109 0 C-N-CA 121.207 1.271 . . . . 0.0 112.133 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.99 42.84 0.54 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 123.26 2.64 . . . . 0.0 112.664 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -101.21 -59.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.481 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 97.38 77.93 1.38 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.054 -177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 37.8 p-90 -143.18 155.44 44.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.783 0.325 . . . . 0.0 110.677 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.81 146.65 18.82 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.269 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -120.12 130.28 54.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.8 t -109.01 114.84 28.94 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.515 ' OH ' HD13 ' A' ' 66' ' ' ILE . 88.5 m-85 -54.64 -64.46 0.82 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.19 -21.79 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -86.29 -36.4 19.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.017 0.436 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 66.77 22.63 10.27 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.536 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 81' ' ' ASP . 34.4 m -109.04 139.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.602 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.6 ttm -107.16 132.97 52.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.023 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.935 ' HA ' ' HG3' ' A' ' 1' ' ' MET . 25.8 p90 -132.09 153.86 50.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.168 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.92 136.09 37.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.836 0.35 . . . . 0.0 110.702 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.0 mt -129.19 16.53 6.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.639 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 t -61.33 -25.69 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.783 0.325 . . . . 0.0 111.57 -171.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -72.17 -22.52 61.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.295 0.569 . . . . 0.0 110.988 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -139.25 32.81 2.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.578 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 24.7 ptm -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.313 0.578 . . . . 0.0 111.867 -171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 36' ' ' ILE . 4.0 m -91.45 120.93 68.13 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.083 176.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 17.0 Cg_exo -67.17 162.73 37.1 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.668 2.245 . . . . 0.0 111.815 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -76.63 148.8 36.7 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.122 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.56 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 65.4 t30 -92.88 9.67 34.38 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.572 . . . . 0.0 110.503 -176.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 142.76 -175.42 23.02 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.796 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.95 117.65 4.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.857 2.371 . . . . 0.0 111.895 178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 56.1 mt -94.87 129.87 34.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.963 -176.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.2 107.54 1.38 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.59 2.193 . . . . 0.0 112.347 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -89.97 135.67 33.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.969 177.159 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -107.57 -64.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.49 -0.767 . . . . 0.0 111.55 -177.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG2' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.714 0.292 . . . . 0.0 110.535 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.486 HG21 ' HB ' ' A' ' 83' ' ' VAL . 14.4 t -128.14 -173.9 3.07 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ttt -67.81 133.18 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.059 0.457 . . . . 0.0 111.479 -175.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 137.71 36.89 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.4 p -95.94 165.62 12.18 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -55.36 -25.46 35.24 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.537 ' HB3' HD11 ' A' ' 65' ' ' ILE . 36.1 m80 -60.25 -25.77 65.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.698 0.285 . . . . 0.0 111.315 176.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -64.34 -27.58 42.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.406 -179.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.26 0.21 22.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.2 0.18 29.79 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.691 HG12 ' O ' ' A' ' 8' ' ' VAL . 17.1 pt -97.1 152.36 3.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.792 0.296 . . . . 0.0 110.572 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -129.77 167.77 17.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.955 0.407 . . . . 0.0 110.985 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 33.1 m -70.21 115.93 9.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.772 173.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.74 165.92 7.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.344 -175.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.7 m -103.39 123.33 41.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.647 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.518 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 9.0 Cg_exo -70.7 100.99 0.98 Allowed 'Trans proline' 0 N--CA 1.46 -0.469 0 C-N-CA 122.824 2.349 . . . . 0.0 111.575 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -71.8 -15.1 62.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.125 -177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.51 165.05 27.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.595 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.2 mt -101.13 -58.9 1.79 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -94.64 -165.55 36.0 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.312 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 48.3 t -72.7 102.73 3.41 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 176.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -40.25 64.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.128 -174.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.669 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 28.2 tt0 -73.98 -36.2 64.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.824 0.345 . . . . 0.0 110.749 -177.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.6 m -68.39 -29.7 68.45 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.26 176.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.2 mt -67.43 -26.3 66.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.669 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 16.8 ptmt -76.36 -15.76 59.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.115 0.483 . . . . 0.0 110.248 -176.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 pt -116.48 6.57 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.733 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.21 49.48 70.78 Favored Glycine 0 C--N 1.333 0.382 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.487 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.2 m -123.07 149.52 57.24 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 120.559 0.218 . . . . 0.0 110.868 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -82.01 -160.89 0.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.961 2.441 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 16.7 p90 -156.51 163.8 38.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.418 ' O ' HG21 ' A' ' 102' ' ' VAL . 49.5 t -91.4 -67.14 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 175.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 89.1 m-70 -135.37 150.73 49.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.787 0.327 . . . . 0.0 110.126 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.539 HD12 HD13 ' A' ' 98' ' ' ILE . 95.1 mt -112.82 142.99 44.82 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.273 -175.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.707 ' O ' ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -134.74 137.75 43.74 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.594 179.37 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HB ' ' HD2' ' A' ' 69' ' ' TYR . 17.3 tt -97.35 156.89 3.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -112.58 109.23 18.65 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 12.4 mmm180 -69.1 8.67 0.52 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -170.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.3 m -107.31 -27.83 10.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.436 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.4 p -142.24 -3.6 1.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.441 -0.504 . . . . 0.0 112.0 -173.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.29 21.94 79.1 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.854 -0.689 . . . . 0.0 113.624 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -94.36 134.29 37.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.638 HG12 ' H ' ' A' ' 44' ' ' GLY . 3.0 t -91.71 -177.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.638 ' H ' HG12 ' A' ' 43' ' ' VAL . . . 169.5 155.69 10.18 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 173.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 26.3 p -78.16 139.66 38.99 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 22.6 p -64.0 172.06 2.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.7 p-10 -76.83 -1.42 28.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 111.158 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -72.52 -21.01 61.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.54 0.686 . . . . 0.0 109.286 172.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 t -87.18 141.58 32.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.927 175.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.93 -12.62 23.18 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.747 2.298 . . . . 0.0 112.956 -178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -83.87 -37.14 22.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.301 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 85.7 mttt 48.61 55.12 9.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.45 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -78.3 -18.13 55.65 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.352 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.03 -47.79 67.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.9 p -71.71 -42.33 67.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.187 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 67.0 mtt-85 -60.28 -35.11 74.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.763 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -64.37 -45.58 87.1 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.593 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -62.06 -44.74 96.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.204 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -64.01 -29.32 70.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.262 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.39 -53.81 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.4 p -90.04 -31.64 17.08 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -173.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.43 48.05 5.78 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.716 -174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.9 m170 -114.64 95.2 39.71 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 89.5 Cg_endo -81.16 5.16 6.43 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.213 2.609 . . . . 0.0 114.878 -169.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 7' ' ' HIS . 37.2 mt -126.24 130.0 72.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.418 0.628 . . . . 0.0 111.698 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG13 ' HB3' ' A' ' 77' ' ' TRP . 41.1 pt -129.26 172.16 15.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.961 176.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 44.2 tt0 -138.0 148.22 44.95 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.921 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.54 102.99 0.88 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.671 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.585 ' HD2' ' HB ' ' A' ' 36' ' ' ILE . 29.9 t80 -87.64 -43.49 11.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.124 0.488 . . . . 0.0 109.706 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.592 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 9.8 t70 -77.06 -53.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.362 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 3.2 Cg_exo -81.69 107.03 1.73 Allowed 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.975 1.783 . . . . 0.0 111.099 176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.0 Cg_exo -78.89 37.33 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 123.461 2.774 . . . . 0.0 112.506 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.402 ' HB2' ' HD1' ' A' ' 75' ' ' TRP . 33.9 mt-10 -84.15 -11.96 55.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.058 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.588 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 71.35 76.37 0.58 Allowed Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.999 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.585 ' HE1' ' HB2' ' A' ' 71' ' ' PRO . 55.2 p-90 -142.06 148.89 39.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.838 0.351 . . . . 0.0 111.119 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -119.39 132.91 9.8 Favored Glycine 0 N--CA 1.444 -0.789 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.425 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.445 ' HB3' HG13 ' A' ' 66' ' ' ILE . 75.8 t-105 -108.83 125.46 51.99 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.987 0.422 . . . . 0.0 110.055 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 8.1 t -105.22 105.75 15.93 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.466 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 69.7 m-85 -51.09 -55.44 17.66 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.583 HG23 ' OD1' ' A' ' 81' ' ' ASP . 23.7 m -66.26 -19.77 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.099 -0.5 . . . . 0.0 112.328 -175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.583 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.3 m-20 -97.34 -34.78 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.864 0.364 . . . . 0.0 110.502 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 66.14 32.05 8.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.64 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.486 ' HB ' HG21 ' A' ' 2' ' ' THR . 34.5 m -118.35 140.73 40.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.703 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttp -107.35 115.31 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.129 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -109.01 168.66 9.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.457 ' HB2' ' HG2' ' A' ' 1' ' ' MET . 11.9 t70 -83.12 132.3 35.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.641 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.8 mt -135.66 18.67 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.594 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.588 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 24.6 t -52.83 -41.63 64.39 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -82.22 -14.32 55.72 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -127.97 14.14 6.82 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.674 0.249 . . . . 0.0 111.674 -171.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.434 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.3 ptm -74.52 163.04 28.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.987 0.423 . . . . 0.0 110.885 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 m -85.64 124.05 71.75 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.99 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -69.23 131.76 22.69 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.536 2.157 . . . . 0.0 111.776 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -75.41 128.44 35.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.911 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -93.29 17.01 11.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.084 0.469 . . . . 0.0 111.035 -176.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.53 160.18 32.75 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.047 -0.597 . . . . 0.0 111.675 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.97 155.01 26.15 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.752 2.302 . . . . 0.0 112.481 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.539 HD13 HD12 ' A' ' 34' ' ' LEU . 78.8 mt -118.32 123.75 29.11 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.48 131.63 45.73 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.684 2.256 . . . . 0.0 111.783 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.571 HH21 HG23 ' A' ' 102' ' ' VAL . 2.7 tpt180 -85.81 104.2 15.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.954 -175.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -102.59 -9.99 19.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.05 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.571 HG23 HH21 ' A' ' 100' ' ' ARG . 3.9 m . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.788 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -160.42 -176.52 5.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.1 mtt -82.25 -41.76 19.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.544 0.211 . . . . 0.0 110.83 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.36 -132.47 3.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.217 -0.992 . . . . 0.0 113.179 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 30.9 p -163.71 175.14 10.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.35 -29.29 67.56 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.733 0.242 . . . . 0.0 111.585 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 36.5 m80 -60.87 -25.93 67.04 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.82 0.343 . . . . 0.0 111.234 177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.45 -27.08 40.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -175.166 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.7 2.34 5.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.818 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.78 11.55 10.17 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.594 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.725 HG12 ' O ' ' A' ' 8' ' ' VAL . 39.2 pt -100.36 151.63 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.11 0.481 . . . . 0.0 111.166 -178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.92 172.74 12.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.134 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -86.29 98.23 10.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -92.86 176.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.209 -169.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.5 m -107.89 126.48 29.72 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.014 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.6 Cg_exo -59.55 135.29 63.54 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.847 2.365 . . . . 0.0 112.566 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.432 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 23.5 m -72.01 -31.89 66.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.344 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -143.96 171.84 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.682 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mp -80.27 -44.45 19.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.125 0.488 . . . . 0.0 109.951 177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.55 -144.12 7.89 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.725 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' SG ' HD23 ' A' ' 34' ' ' LEU . 60.4 m -75.18 108.93 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.77 -0.253 . . . . 0.0 111.061 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -48.18 -31.35 5.61 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.956 0.785 . . . . 0.0 111.496 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.08 -63.86 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.891 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.0 m -56.02 -29.76 60.84 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 77.6 mt -64.66 -16.19 62.45 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HG3' HG23 ' A' ' 27' ' ' ILE . 11.6 ptmt -68.43 -24.8 64.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.848 0.356 . . . . 0.0 110.534 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.568 HG23 ' HG3' ' A' ' 26' ' ' LYS . 7.8 pt -127.73 5.26 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.354 -177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.21 27.61 73.66 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.853 178.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.7 m -88.99 157.17 48.81 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.697 0.284 . . . . 0.0 111.453 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 101' ' ' TYR . 16.3 Cg_exo -69.62 174.96 8.62 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 123.245 2.63 . . . . 0.0 113.106 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 15.7 p90 -150.54 160.68 43.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.259 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -94.59 -56.76 4.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -135.46 153.42 51.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.124 0.488 . . . . 0.0 111.296 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD23 ' SG ' ' A' ' 21' ' ' CYS . 76.9 mt -112.75 131.94 55.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.742 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.596 ' HD3' ' HB1' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -141.65 134.33 28.54 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.474 0.654 . . . . 0.0 111.435 177.153 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 43' ' ' VAL . 7.4 tt -119.53 141.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.105 -176.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.9 m -72.93 143.82 47.55 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 120.264 -0.574 . . . . 0.0 109.481 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 10.8 mmm180 -82.95 36.8 0.51 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.055 0.455 . . . . 0.0 109.9 171.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -140.59 -62.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.63 -173.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 14.7 p -102.08 -13.62 17.43 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.729 0.299 . . . . 0.0 111.688 -174.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.36 -1.63 88.41 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.565 -0.826 . . . . 0.0 114.105 177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.473 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 12.4 m-70 -75.97 119.45 19.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 117.537 0.668 . . . . 0.0 111.182 -177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 36' ' ' ILE . 45.0 t -87.96 122.23 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.817 177.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -125.23 160.57 19.82 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.066 -177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.7 p -72.76 128.78 36.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.2 t -56.91 160.88 3.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.54 -4.63 6.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.471 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -64.1 -36.49 84.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.098 0.475 . . . . 0.0 109.97 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 m -86.7 146.03 40.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.71 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.25 -27.5 80.96 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.399 2.733 . . . . 0.0 113.779 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 40.6 m-70 -62.5 -42.53 99.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.185 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.1 mttt 50.66 36.31 13.72 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.064 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.2 -18.49 48.71 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.355 177.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.596 ' HB1' ' HD3' ' A' ' 35' ' ' ARG . . . -66.36 -48.58 69.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.696 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.8 p -78.63 -39.53 36.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -61.19 -37.45 82.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -70.93 -38.98 72.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.709 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -63.69 -39.46 94.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.9 0.381 . . . . 0.0 110.331 176.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -61.12 -32.56 72.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.798 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.23 -47.67 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -174.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.5 p -96.62 -14.36 22.22 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 64.92 47.89 77.61 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.516 -0.85 . . . . 0.0 112.522 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -110.51 92.33 13.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 93.5 Cg_endo -80.27 -22.23 7.17 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.963 2.442 . . . . 0.0 113.946 -171.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.8 mt -97.87 121.81 48.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-O 121.548 0.69 . . . . 0.0 111.441 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.458 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 38.0 pt -126.82 144.67 36.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.324 -179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -108.61 144.87 35.76 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.474 ' HA3' ' CZ2' ' A' ' 75' ' ' TRP . . . -68.27 110.09 3.24 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.741 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -92.2 -27.42 17.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.498 0.189 . . . . 0.0 111.211 -173.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.623 ' CG ' ' HD3' ' A' ' 71' ' ' PRO . 5.5 p-10 -84.19 -38.36 0.67 Allowed Pre-proline 0 CA--C 1.538 0.496 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.439 177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.623 ' HD3' ' CG ' ' A' ' 70' ' ' ASP . 58.4 Cg_endo -104.04 88.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.362 1.25 0 C-N-CA 122.866 2.377 . . . . 0.0 111.29 170.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 5.0 Cg_exo -75.93 78.79 3.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -174.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -111.05 -0.46 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.229 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 73.3 73.08 0.91 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.879 -0.676 . . . . 0.0 112.077 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.474 ' CZ2' ' HA3' ' A' ' 68' ' ' GLY . 52.3 p-90 -142.63 142.31 32.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.849 0.357 . . . . 0.0 110.254 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.37 129.19 8.2 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.365 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -106.62 137.34 44.81 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.2 t -118.06 111.2 18.6 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 34.4 m-85 -46.67 -66.41 0.41 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -172.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.6 m -67.22 -21.12 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -84.16 -36.94 22.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.837 0.351 . . . . 0.0 110.187 -179.233 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 67.97 23.85 8.12 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.536 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 m -112.06 150.46 14.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.496 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 57.1 ttp -119.85 120.4 36.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.705 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -115.33 168.1 10.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.8 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.73 136.45 33.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 0.0 111.181 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.8 mt -134.35 25.77 3.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.023 177.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.55 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.4 p -56.54 -39.31 73.18 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -172.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 -10.23 59.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.002 0.43 . . . . 0.0 110.81 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -125.29 14.79 8.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.234 -175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.1 ptp -61.93 154.3 26.71 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -169.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 m -98.48 108.04 45.64 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.402 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.54 131.17 18.3 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.389 2.059 . . . . 0.0 111.734 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.425 ' HD2' ' O ' ' A' ' 96' ' ' GLY . 55.0 p-80 -61.81 138.71 58.36 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.014 0.435 . . . . 0.0 110.981 -177.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -64.68 -56.5 13.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.768 -174.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 94' ' ' HIS . . . -134.05 -174.4 13.5 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.811 -174.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.29 119.24 6.24 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.906 2.404 . . . . 0.0 111.93 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 34' ' ' LEU . 57.2 mt -97.74 123.03 53.26 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.831 -177.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 17.0 Cg_exo -66.92 104.35 0.82 Allowed 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.733 2.288 . . . . 0.0 111.833 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -88.48 117.67 27.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.467 ' CE2' ' HA ' ' A' ' 30' ' ' PRO . 79.1 m-85 -92.54 -59.54 2.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.779 -174.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.879 -175.418 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.697 ' HG3' ' H ' ' A' ' 2' ' ' THR . 37.7 tpp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.697 ' H ' ' HG3' ' A' ' 1' ' ' MET . 2.8 t -76.32 68.28 2.67 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.462 0.542 . . . . 0.0 112.462 -175.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 mmt 54.69 -91.49 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.868 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.83 -135.92 4.22 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.782 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' HG23 ' A' ' 8' ' ' VAL . 31.5 p -157.38 176.7 12.33 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -64.87 -24.54 67.57 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.771 0.285 . . . . 0.0 111.771 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -63.58 -25.4 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.542 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 12.7 t -63.72 -30.48 50.01 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-O 121.202 0.525 . . . . 0.0 109.99 178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.02 -17.49 59.65 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.619 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.62 -21.38 37.35 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.225 179.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.533 HD13 HG21 ' A' ' 65' ' ' ILE . 47.8 pt -91.21 153.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.899 0.381 . . . . 0.0 110.474 177.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 172.03 12.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.487 -178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.648 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 39.3 m -73.84 96.66 2.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.653 0.739 . . . . 0.0 111.088 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 ' HA2' ' A' ' 41' ' ' GLY . 22.2 m -84.83 161.03 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.205 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.4 m -96.11 128.57 36.59 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.943 176.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.64 107.8 0.27 Allowed 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.725 2.284 . . . . 0.0 112.027 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -83.47 11.78 6.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.445 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -163.19 149.95 12.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.396 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' HA3' ' A' ' 96' ' ' GLY . 10.8 mp -80.68 -48.05 13.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.252 0.548 . . . . 0.0 109.925 178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.58 -147.02 7.03 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 72.4 m -75.68 104.06 6.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 117.004 0.402 . . . . 0.0 110.043 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.24 -38.03 50.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.221 0.534 . . . . 0.0 110.38 178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.1 tp10 -60.39 -60.71 3.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.734 178.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.633 ' HB3' ' O ' ' A' ' 29' ' ' SER . 73.2 m -52.55 -40.24 62.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.773 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.8 mt -72.11 -15.78 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 12.8 ptmt -83.51 -18.8 37.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.258 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.4 pt -118.49 -5.41 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.757 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.13 42.23 24.69 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.32 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.633 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 66.1 m -118.69 156.36 51.62 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.474 0.178 . . . . 0.0 110.996 -178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -81.3 179.58 5.75 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.703 2.268 . . . . 0.0 112.824 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 26.4 p90 -146.87 164.97 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.315 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG12 ' CD2' ' A' ' 33' ' ' HIS . 48.4 t -90.44 -66.89 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.283 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CD2' HG12 ' A' ' 32' ' ' VAL . 88.2 m-70 -131.91 153.87 49.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.47 . . . . 0.0 111.16 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 98' ' ' ILE . 97.5 mt -101.51 131.01 47.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.48 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 35' ' ' ARG . 7.7 mmm180 -120.83 109.43 15.13 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.509 HG23 ' HB3' ' A' ' 67' ' ' GLU . 14.0 tt -95.97 121.94 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 122.175 0.988 . . . . 0.0 109.869 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 45.7 t -73.98 116.29 14.43 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.708 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.648 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 8.7 mmm180 -72.42 1.98 7.01 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -173.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 m -98.88 -61.1 1.41 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.846 0.355 . . . . 0.0 111.196 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.4 p -102.75 1.86 34.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.209 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 73.29 14.43 79.22 Favored Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.154 -0.546 . . . . 0.0 114.404 173.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -94.18 133.82 37.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.867 0.833 . . . . 0.0 110.681 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . 21.5 t -90.86 132.37 35.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.98 178.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.16 171.55 22.45 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.925 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.515 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 6.7 p -83.12 137.12 34.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.804 0.335 . . . . 0.0 110.814 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.9 t -66.53 172.68 3.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.897 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.578 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 9.0 p-10 -75.81 -8.56 57.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.649 -178.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.04 -42.56 85.65 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.866 174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.9 m -83.1 134.78 45.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 172.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.72 -15.98 23.19 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 123.219 2.613 . . . . 0.0 113.501 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -64.68 -39.2 93.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.222 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.578 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 47.8 mtmt 46.87 51.4 12.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.531 -0.758 . . . . 0.0 112.519 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -76.0 -20.57 57.74 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.018 -176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.42 -44.67 62.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 111.011 179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.4 p -74.24 -43.6 56.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.729 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -59.87 -29.24 68.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -65.56 -41.89 92.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.891 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -62.93 -38.21 90.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.478 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -67.43 -26.47 66.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.279 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.75 -50.1 6.25 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.3 p -94.73 -26.51 16.25 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.36 39.78 21.49 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.465 -0.874 . . . . 0.0 111.98 -175.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 55.3 m170 -107.65 102.51 45.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 77.5 Cg_endo -83.99 0.82 9.12 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.957 2.438 . . . . 0.0 115.666 -165.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 11' ' ' ILE . 36.5 mt -126.69 126.98 69.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-N 118.885 0.766 . . . . 0.0 112.421 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 HD12 ' HE ' ' A' ' 35' ' ' ARG . 38.5 pt -129.74 138.41 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.163 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' HB3' HG23 ' A' ' 36' ' ' ILE . 33.8 tt0 -103.86 148.48 26.09 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.382 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.72 108.56 2.54 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 175.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 14.3 t80 -93.03 -27.79 16.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -172.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.562 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 6.9 p-10 -78.48 -37.26 1.36 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.819 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 9.8 Cg_endo -89.9 118.67 0.77 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 C-N-CA 121.842 1.695 . . . . 0.0 111.227 173.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.7 Cg_exo -71.21 35.8 0.28 Allowed 'Trans proline' 0 CA--C 1.532 0.406 0 C-N-CA 123.219 2.613 . . . . 0.0 112.947 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 33.3 mt-10 -86.62 -38.66 16.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.299 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 84.8 0.76 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.18 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.453 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 51.3 p-90 -150.82 140.1 21.29 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 110.68 178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -106.35 135.61 12.79 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.432 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.4 ' HE3' ' HB2' ' A' ' 84' ' ' MET . 56.6 t-105 -102.67 135.93 43.42 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.531 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 3.4 t -113.51 113.51 25.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 63.0 m-85 -53.49 -67.13 0.28 Allowed 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.8 m -61.88 -19.99 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -174.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -89.57 -36.67 15.2 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.88 0.371 . . . . 0.0 110.164 179.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 67.67 24.88 8.31 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.749 -176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 81' ' ' ASP . 35.9 m -117.95 141.37 37.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.531 176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.4 ' HB2' ' HE3' ' A' ' 77' ' ' TRP . 54.3 ttp -100.03 138.03 37.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.098 174.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.542 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 51.1 p90 -131.81 145.29 51.49 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.47 137.38 55.79 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 23.8 tp -140.46 23.78 2.31 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.636 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 t -61.75 -33.78 74.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.734 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -69.31 -19.16 63.88 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.16 16.63 6.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.749 -0.205 . . . . 0.0 110.685 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -68.15 165.31 18.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.129 0.49 . . . . 0.0 111.557 -172.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.477 HG21 HD13 ' A' ' 36' ' ' ILE . 40.6 p -84.14 134.24 43.86 Favored Pre-proline 0 N--CA 1.444 -0.765 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.035 -179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.8 116.13 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.357 2.038 . . . . 0.0 111.924 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.443 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 0.3 OUTLIER -61.46 105.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.566 0.698 . . . . 0.0 110.232 177.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -87.95 2.08 52.54 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.102 -0.954 . . . . 0.0 112.949 -166.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.517 ' HA3' ' HG ' ' A' ' 19' ' ' LEU . . . -157.18 175.04 34.72 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 119.932 -1.127 . . . . 0.0 112.817 -179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.19 127.17 10.34 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.965 2.444 . . . . 0.0 111.898 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 34' ' ' LEU . 63.5 mt -117.36 112.91 39.14 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.615 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 12.5 Cg_exo -70.08 123.9 10.44 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.936 2.424 . . . . 0.0 112.837 -177.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.589 ' HD2' ' OXT' ' A' ' 102' ' ' VAL . 6.9 tpp180 -70.66 104.56 2.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.332 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.41 -36.14 15.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.849 0.357 . . . . 0.0 111.057 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.589 ' OXT' ' HD2' ' A' ' 100' ' ' ARG . 6.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.908 -1.044 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.419 ' HB3' ' O ' ' A' ' 84' ' ' MET . 13.2 tpt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 ' H ' ' HA ' ' A' ' 85' ' ' PHE . 74.9 p -113.1 172.72 6.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 55.6 ttp -71.19 -39.7 71.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.971 0.415 . . . . 0.0 110.149 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.03 -152.53 20.8 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.617 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.6 p -155.06 171.92 18.97 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 6' ' ' ARG . 11.7 ptt180 -60.37 -25.49 65.9 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -177.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -65.96 -26.71 67.7 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.604 0.24 . . . . 0.0 111.45 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.47 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 17.3 t -65.15 -29.24 46.74 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.482 0.658 . . . . 0.0 109.871 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -13.04 62.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.977 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.17 -13.5 33.37 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.246 -177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.518 HD13 HG21 ' A' ' 65' ' ' ILE . 44.1 pt -86.28 152.11 3.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-N 117.23 0.515 . . . . 0.0 110.581 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -123.87 176.9 6.02 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.094 -174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -76.77 101.48 5.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.553 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 18.1 m -99.49 144.39 12.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.173 0.511 . . . . 0.0 111.84 -170.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -85.6 128.1 60.33 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.271 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -63.13 132.11 35.2 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.64 2.227 . . . . 0.0 112.417 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.3 m -60.23 -47.36 86.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.152 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.2 178.02 10.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.987 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.8 mt -57.69 -59.21 5.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.271 0.557 . . . . 0.0 110.227 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.71 -149.05 15.98 Favored Glycine 0 N--CA 1.445 -0.75 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.457 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 48.6 t -75.17 117.81 17.41 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -38.15 -70.36 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 124.473 1.108 . . . . 0.0 113.359 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.654 ' HG3' ' HD3' ' A' ' 26' ' ' LYS . 34.4 tt0 -68.8 -31.17 69.99 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -173.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 87.9 m -62.59 -32.71 73.75 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.061 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.703 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HD3' ' HG3' ' A' ' 23' ' ' GLU . 32.6 pttt -67.35 -23.62 65.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.18 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.58 HG23 ' HG3' ' A' ' 26' ' ' LYS . 22.6 pt -128.96 4.26 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.08 45.71 93.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.421 -0.895 . . . . 0.0 111.707 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t -79.53 113.85 40.55 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 31.0 Cg_exo -61.96 121.25 9.23 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 123.092 2.528 . . . . 0.0 112.755 -176.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -109.85 157.42 19.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.433 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.84 -58.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.65 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -136.06 150.99 49.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.579 177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 70' ' ' ASP . 95.7 mt -109.49 132.12 54.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.19 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' CD ' HD12 ' A' ' 66' ' ' ILE . 85.1 mtt180 -129.65 126.19 37.81 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.301 0.572 . . . . 0.0 109.948 179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.452 HD13 HG21 ' A' ' 92' ' ' THR . 13.0 tt -96.32 124.83 49.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.913 0.863 . . . . 0.0 110.333 -176.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.15 107.02 2.6 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.581 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.454 ' HA ' HG21 ' A' ' 14' ' ' VAL . 10.2 mmm180 -70.99 6.39 1.58 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -173.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.6 -28.48 12.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.774 0.321 . . . . 0.0 111.511 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 42' ' ' HIS . 19.6 p -142.84 -0.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.439 . . . . 0.0 111.808 -176.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 80.26 13.96 81.07 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.569 175.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.511 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 1.7 t60 -83.56 116.78 22.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.379 0.59 . . . . 0.0 109.913 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.3 t -86.83 124.48 40.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.44 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.433 ' HA2' ' SG ' ' A' ' 21' ' ' CYS . . . -141.85 154.25 24.72 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.252 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 27.7 p -73.43 140.98 46.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 48' ' ' ASP . 18.1 p -71.7 -179.65 2.71 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.742 0.306 . . . . 0.0 111.099 -177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.573 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 12.1 p-10 -75.73 -7.63 54.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.824 -177.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.407 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 6.5 m-20 -64.49 -26.54 68.48 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -95.27 139.18 21.91 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.65 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.05 -29.72 66.59 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 123.334 2.69 . . . . 0.0 113.626 -174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -72.96 -25.19 60.92 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.809 -177.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 54.1 mtmt 40.56 63.04 1.21 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.801 0.841 . . . . 0.0 113.102 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 23' ' ' GLU . 5.8 m170 -76.98 -40.2 47.69 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.92 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.37 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.7 p -75.04 -48.28 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.624 -177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.75 -27.91 69.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.418 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -68.13 -44.83 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.774 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -60.1 -42.82 95.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.916 0.389 . . . . 0.0 110.212 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -61.26 -27.08 68.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.228 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -92.72 -48.94 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.0 p -93.35 -20.64 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.12 40.0 57.18 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.412 -0.899 . . . . 0.0 111.76 -175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -107.49 100.4 33.89 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 87.1 Cg_endo -85.8 6.7 5.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.024 2.483 . . . . 0.0 115.405 -166.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.518 HG21 HD13 ' A' ' 11' ' ' ILE . 24.7 mt -128.15 128.11 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.472 0.653 . . . . 0.0 112.259 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' CD ' ' A' ' 35' ' ' ARG . 30.8 pt -132.99 150.48 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.194 177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.7 tt0 -116.36 144.58 44.09 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.462 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.57 107.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.257 176.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -93.08 -44.33 8.44 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.659 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -67.01 -36.65 11.53 Favored Pre-proline 0 CA--C 1.544 0.73 0 CA-C-O 119.094 -0.479 . . . . 0.0 112.09 -177.137 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.521 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 13.8 Cg_endo -93.26 123.79 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.19 1.927 . . . . 0.0 111.643 174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 9.0 Cg_exo -72.74 44.3 0.75 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 123.238 2.626 . . . . 0.0 112.709 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.57 -52.47 5.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.966 0.412 . . . . 0.0 110.237 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.34 74.65 1.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.132 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -145.75 148.96 33.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.766 0.317 . . . . 0.0 110.689 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.03 139.67 14.02 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.103 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.411 ' CE3' ' HB2' ' A' ' 84' ' ' MET . 65.4 t-105 -111.98 135.03 53.14 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.8 t -112.01 110.95 21.53 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 56.2 m-85 -51.07 -59.8 3.78 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -173.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.427 HG23 ' OD1' ' A' ' 81' ' ' ASP . 18.4 m -68.72 -20.49 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.9 OUTLIER -89.22 -37.13 15.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.865 0.364 . . . . 0.0 110.134 179.656 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 64.87 32.67 10.65 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.287 -175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.4 m -120.94 148.29 24.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.17 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.419 ' O ' ' HB3' ' A' ' 1' ' ' MET . 47.4 ttm -110.59 129.13 55.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.711 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 37.1 p90 -119.98 169.63 10.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.691 0.281 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.63 135.43 33.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.436 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 74.0 mt -135.98 27.03 3.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.91 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 p -59.21 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.78 -1.5 52.75 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.4 mtt180 -132.02 18.91 4.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.845 0.355 . . . . 0.0 110.395 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.596 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.7 ptm -72.83 148.81 44.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.638 -173.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.3 m -70.61 118.57 65.98 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.305 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.7 Cg_exo -66.44 138.42 50.37 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.738 2.292 . . . . 0.0 112.524 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -61.99 135.77 57.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.225 176.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -101.58 13.92 33.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.462 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 150.87 -174.11 30.24 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.48 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.68 123.88 9.35 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 123.211 2.608 . . . . 0.0 112.101 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 57.6 mt -95.08 129.07 36.59 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.565 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -64.85 112.19 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.609 2.206 . . . . 0.0 111.482 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' HD3' ' OXT' ' A' ' 102' ' ' VAL . 0.9 OUTLIER -102.23 127.32 49.23 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -177.358 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -97.33 -47.61 5.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.383 -174.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.435 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 9.7 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.108 -0.949 . . . . 0.0 111.571 -175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.843 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 85' ' ' PHE . 13.3 t -105.4 166.97 10.05 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt -65.6 -40.88 93.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.906 0.384 . . . . 0.0 110.542 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 85' ' ' PHE . . . 152.8 -148.27 18.91 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.31 177.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.0 p -160.89 162.96 32.26 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -58.27 -23.11 55.15 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.443 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -61.72 -24.72 66.97 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -60.62 -28.07 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.747 -178.228 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.84 -3.43 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.824 0.345 . . . . 0.0 111.155 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.57 -5.47 48.41 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.438 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.59 HG12 ' O ' ' A' ' 8' ' ' VAL . 42.2 pt -101.74 153.77 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.208 0.528 . . . . 0.0 110.953 178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.12 163.48 23.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.848 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.5 m -71.13 99.0 1.77 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.2 m -93.91 160.51 2.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.934 -170.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -101.73 124.15 41.55 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.153 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 95' ' ' ASN . 43.2 Cg_exo -55.62 120.26 7.94 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.957 2.438 . . . . 0.0 112.495 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 t -87.66 -14.38 40.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.977 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.63 154.99 46.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.219 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 95.8 mt -88.97 -58.01 2.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.208 0.528 . . . . 0.0 109.917 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.97 -151.01 24.78 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.452 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.0 t -77.06 108.82 10.4 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.68 -0.306 . . . . 0.0 110.217 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -48.9 -37.49 19.89 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.894 0.746 . . . . 0.0 111.475 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 52.4 tp10 -74.65 -49.26 22.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.006 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' SER . 97.7 m -65.53 -30.57 71.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.726 -176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 88.4 mt -66.16 -19.35 65.81 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.566 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.1 ptmt -73.78 -21.11 60.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.796 0.331 . . . . 0.0 110.989 -177.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -127.2 -3.26 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.847 0.356 . . . . 0.0 111.602 -178.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.45 34.23 36.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.992 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 34.4 t -85.7 145.0 40.66 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 6.7 Cg_exo -74.37 172.83 15.31 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.573 2.182 . . . . 0.0 112.042 176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.6 p90 -150.09 158.17 43.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.72 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG12 ' CD2' ' A' ' 33' ' ' HIS . 22.8 t -91.07 -64.65 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 110.328 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 95.7 m-70 -131.23 159.0 39.07 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.4 mt -111.81 142.73 43.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.281 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' HD2' HD12 ' A' ' 66' ' ' ILE . 23.2 mmt180 -122.38 119.4 30.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.728 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 67' ' ' GLU . 12.4 tt -97.09 121.31 47.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 121.893 0.854 . . . . 0.0 109.732 175.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -78.66 115.68 18.51 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.214 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.649 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 8.9 mmm180 -73.66 7.17 2.6 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -173.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -106.23 -23.73 12.5 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.689 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.7 p -142.85 -6.54 0.86 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.115 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.67 13.09 82.07 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.592 -0.813 . . . . 0.0 113.92 174.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.65 138.08 31.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.592 0.696 . . . . 0.0 109.993 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.4 t -108.02 137.57 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.652 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -143.66 169.7 25.93 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.6 p -73.25 147.86 44.21 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 25.0 p -68.99 -173.26 0.47 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.242 0.544 . . . . 0.0 111.119 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.541 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.7 p-10 -82.3 2.83 30.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.141 -178.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -79.17 -35.41 41.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.242 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.6 m -82.29 145.99 53.41 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.252 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -48.65 -36.54 32.62 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.745 2.963 . . . . 0.0 113.778 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -66.27 -42.93 87.77 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -177.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.541 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 91.0 mttt 51.68 40.13 26.72 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.203 -177.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -64.41 -23.3 67.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.666 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' HIS . . . -73.59 -42.11 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.529 0.196 . . . . 0.0 111.529 -179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 39.5 p -74.17 -40.59 62.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.918 0.39 . . . . 0.0 110.528 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 52.5 mtp180 -66.06 -25.41 67.02 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.914 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 54' ' ' ALA . 69.2 t60 -61.78 -41.67 98.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.614 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -64.98 -36.58 84.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.291 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.48 -27.34 66.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.707 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.77 -58.29 2.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.93 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 34.1 p -84.04 -27.92 28.01 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -173.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.54 39.57 14.44 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.853 -175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -110.52 102.31 51.38 Favored Pre-proline 0 C--N 1.329 -0.316 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 79.3 Cg_endo -86.33 2.52 7.28 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.089 2.526 . . . . 0.0 115.586 -167.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG21 HD13 ' A' ' 11' ' ' ILE . 57.7 mt -128.17 130.52 69.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.338 0.59 . . . . 0.0 112.33 -176.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.409 HD12 ' HD2' ' A' ' 35' ' ' ARG . 34.5 pt -136.17 154.61 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.656 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.649 ' OE1' ' HD3' ' A' ' 38' ' ' ARG . 31.1 mt-10 -107.89 166.71 10.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.937 0.399 . . . . 0.0 110.172 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -85.26 101.04 2.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.448 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 20.8 t80 -81.73 -22.2 37.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.057 0.456 . . . . 0.0 110.138 -177.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.566 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 3.6 t70 -76.63 -54.28 1.79 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.787 175.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 98.5 Cg_endo -95.42 101.81 0.1 Allowed 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.118 1.879 . . . . 0.0 112.078 172.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.487 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 7.3 Cg_exo -74.22 50.24 2.19 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.491 2.794 . . . . 0.0 112.414 -176.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -86.43 -23.78 25.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.4 -177.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.82 76.26 1.31 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.481 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 60.2 p-90 -151.96 145.19 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.724 0.297 . . . . 0.0 110.428 178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.71 133.8 10.92 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.862 -0.608 . . . . 0.0 112.228 -178.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.8 t-105 -107.77 131.71 54.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.2 t -112.31 114.18 26.79 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 66.8 m-85 -53.11 -59.03 5.05 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -172.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' OD1' ' A' ' 81' ' ' ASP . 13.4 m -69.05 -27.89 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.8 OUTLIER -80.5 -38.4 29.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.993 0.425 . . . . 0.0 110.302 -179.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 63.46 31.66 14.83 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.758 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG22 ' CB ' ' A' ' 81' ' ' ASP . 22.5 m -114.88 152.38 16.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.719 175.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 48.1 ttm -116.55 113.12 22.31 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' HB3' HG23 ' A' ' 2' ' ' THR . 24.6 p90 -105.75 151.15 24.81 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.714 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.843 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 12.0 t70 -75.88 122.69 24.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.628 -176.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.7 mt -118.5 23.05 11.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.415 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -62.85 -29.55 70.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.123 0.487 . . . . 0.0 110.193 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.45 -20.58 61.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.406 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.5 mtt180 -133.24 23.97 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.002 -173.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 20.8 ptp -62.91 147.9 48.96 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 -169.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 4.9 m -99.33 106.26 38.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.889 173.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 7.1 Cg_exo -74.1 162.17 39.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.013 2.475 . . . . 0.0 112.472 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 51.2 p-80 -64.71 124.83 22.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.851 177.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 16' ' ' PRO . 5.7 p30 -81.04 -13.59 58.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.244 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -163.79 -173.97 33.09 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.039 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.62 121.36 8.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.189 2.593 . . . . 0.0 112.48 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.1 mt -109.42 124.52 33.65 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.177 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.77 111.84 2.5 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.388 2.059 . . . . 0.0 111.974 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -85.74 121.5 28.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.806 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -99.53 -43.5 6.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.427 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.248 0.986 0 CA-C-O 117.91 -1.043 . . . . 0.0 111.304 -178.037 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' HB3' ' A' ' 86' ' ' ASP . 27.1 ptt? . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.832 0.349 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.553 HG21 ' HB ' ' A' ' 83' ' ' VAL . 13.5 t -138.41 -178.31 5.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.175 177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.5 ttp -63.81 141.02 58.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.572 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.42 155.67 53.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.187 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' O ' HG12 ' A' ' 8' ' ' VAL . 21.5 p -111.5 156.9 20.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -54.48 -22.01 11.59 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.97 -24.08 62.29 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.625 177.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.714 HG23 HD11 ' A' ' 11' ' ' ILE . 11.4 p -59.38 -27.53 37.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 111.015 177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -10.95 60.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 111.454 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 -30.71 7.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.932 177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 8' ' ' VAL . 14.0 pt -83.27 147.67 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.724 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -134.58 -179.32 5.52 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.321 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 m -75.79 107.37 7.93 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.4 m -101.48 160.78 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.718 -172.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 m -96.47 125.69 46.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.211 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.53 113.57 1.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 111.531 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.503 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 2.3 p -76.0 -9.9 58.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.629 -178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.13 152.53 28.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.988 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.34 -46.42 20.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.288 0.565 . . . . 0.0 109.66 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.33 -165.14 21.11 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.658 177.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -78.07 98.55 5.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.6 tp10 -66.49 90.94 0.17 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 11.0 tp10 167.01 -65.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 -173.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.626 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 41.1 m -67.28 -29.36 68.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.29 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.56 -17.62 64.12 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.605 -178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.596 ' HG3' HG23 ' A' ' 27' ' ' ILE . 13.9 ptpt -74.64 -26.6 59.98 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.466 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.596 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.8 pt -110.93 -20.27 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.318 -178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.09 29.3 8.08 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.061 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.626 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 22.7 t -87.28 143.19 34.11 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 5.4 Cg_exo -79.14 -166.84 0.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.093 2.529 . . . . 0.0 112.234 178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.44 ' CZ2' ' HG2' ' A' ' 99' ' ' PRO . 12.4 p90 -161.69 170.17 20.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.976 178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -94.5 -66.83 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' HD2' ' OD1' ' A' ' 70' ' ' ASP . 32.3 m80 -131.49 144.55 51.22 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.877 0.37 . . . . 0.0 110.223 178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 96.8 mt -102.33 134.31 45.83 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.795 174.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' HD2' HD12 ' A' ' 66' ' ' ILE . 78.7 mtt180 -126.96 136.11 51.81 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 176.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 92' ' ' THR . 14.6 tt -97.05 131.51 43.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 121.697 0.761 . . . . 0.0 110.282 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HA ' HG22 ' A' ' 66' ' ' ILE . 42.8 t -76.76 112.54 13.46 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.031 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 38' ' ' ARG . 8.6 mmm180 -72.11 2.72 5.36 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -171.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -97.11 -58.66 1.97 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.899 0.381 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 p -103.23 -15.87 15.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.328 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.01 23.45 45.19 Favored Glycine 0 C--N 1.332 0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.823 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 9.1 t-80 -94.59 137.81 33.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.759 0.779 . . . . 0.0 110.089 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -105.35 143.28 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.209 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -165.4 169.13 39.75 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.192 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 12.1 p -73.01 133.47 44.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.024 0.44 . . . . 0.0 109.909 177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.69 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 p -87.28 -169.07 2.46 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.447 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 52' ' ' LYS . 28.0 t70 -58.5 -22.48 55.22 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.945 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.14 -34.98 59.18 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.596 ' O ' ' HG2' ' A' ' 52' ' ' LYS . 7.5 m -104.43 148.07 35.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.285 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.2 -16.28 51.33 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.908 2.406 . . . . 0.0 113.312 -175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 45' ' ' CYS . 2.4 t60 -76.84 -29.47 55.91 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 49' ' ' SER . 8.7 mtmt 49.15 44.17 22.89 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.38 173.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -68.17 -28.57 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 46' ' ' CYS . . . -75.97 -38.86 57.02 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.412 HG21 ' HB2' ' A' ' 47' ' ' ASP . 60.1 p -77.69 -42.16 35.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.991 -176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -66.1 -27.69 68.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.009 0.433 . . . . 0.0 110.33 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -62.88 -47.08 84.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.03 174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 19.3 t80 -61.46 -40.02 93.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.631 178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -60.95 -26.89 67.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.824 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.81 -51.88 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.008 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.0 p -81.05 -27.18 35.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.79 35.45 50.66 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.517 -173.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -103.45 97.12 9.66 Favored Pre-proline 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.3 Cg_endo -80.24 -15.21 11.57 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.684 2.256 . . . . 0.0 114.839 -168.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' HB ' HG21 ' A' ' 11' ' ' ILE . 64.2 mt -110.12 126.27 67.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.634 0.731 . . . . 0.0 112.404 -174.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.552 HD12 ' HD2' ' A' ' 35' ' ' ARG . 37.4 pt -130.94 160.57 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.442 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 40.1 tt0 -127.83 146.5 50.59 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.179 -179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.88 109.93 3.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 111.843 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.8 t80 -95.78 -40.81 9.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.667 0.27 . . . . 0.0 110.413 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.605 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 6.7 t70 -68.34 -47.55 37.3 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.57 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.1 Cg_endo -99.75 89.07 0.05 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.091 0 C-N-CA 122.649 2.233 . . . . 0.0 111.29 167.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.605 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 2.8 Cg_exo -75.49 89.79 1.17 Allowed 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.757 2.305 . . . . 0.0 112.037 -176.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.572 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 36.9 mt-10 -113.08 -11.81 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.582 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 79.46 65.49 1.78 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.753 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.572 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 45.9 p-90 -142.17 149.33 39.59 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.896 0.379 . . . . 0.0 110.805 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.57 118.03 4.14 Favored Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.746 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 74.1 t-105 -94.19 127.77 40.23 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.3 t -109.3 103.18 12.08 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -45.87 -56.62 5.18 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.595 HG23 ' OD1' ' A' ' 81' ' ' ASP . 16.3 m -67.39 -20.7 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -175.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.595 ' OD1' HG23 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -95.63 -35.19 11.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.927 0.394 . . . . 0.0 110.174 -178.617 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 63.52 29.44 15.33 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.358 -173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.553 ' HB ' HG21 ' A' ' 2' ' ' THR . 21.9 m -115.51 146.56 19.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.017 176.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.9 ttm -113.07 108.5 17.41 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.494 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -99.73 165.52 11.55 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 7.6 p-10 -89.62 137.89 31.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.394 0.616 . . . . 0.0 111.325 -174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -132.94 23.94 4.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.665 177.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.552 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 10.4 t -57.86 -37.67 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.921 -172.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -86.68 0.04 55.35 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.807 0.337 . . . . 0.0 111.563 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -130.7 15.71 5.35 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.73 0.3 . . . . 0.0 110.24 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 25.2 ptm -69.87 153.46 43.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.692 -172.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.458 HG21 HD13 ' A' ' 36' ' ' ILE . 3.0 m -84.91 116.33 64.9 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.445 178.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -75.37 157.72 41.1 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.384 2.056 . . . . 0.0 112.037 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.562 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 28.4 p-80 -91.21 129.0 37.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -93.03 -10.39 36.38 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -149.4 175.47 28.58 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.099 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.39 116.63 2.35 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 123.674 2.916 . . . . 0.0 112.143 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 59.7 mt -95.3 129.13 36.06 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.648 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.44 ' HG2' ' CZ2' ' A' ' 31' ' ' TRP . 24.7 Cg_endo -63.69 109.58 1.09 Allowed 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.624 2.216 . . . . 0.0 112.126 176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -85.48 114.31 22.42 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.688 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -102.61 -8.86 20.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -173.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.321 178.158 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.256 -0.275 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -166.8 174.99 8.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.295 -0.412 . . . . 0.0 109.988 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -73.98 -32.49 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.386 0.613 . . . . 0.0 109.535 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.56 -88.74 1.25 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.916 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.8 p 179.44 177.27 0.58 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.5 -17.51 63.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.861 0.362 . . . . 0.0 111.23 -177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -64.5 -26.41 68.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.865 177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 14.7 t -68.0 -30.14 47.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.417 0 CA-C-O 121.391 0.615 . . . . 0.0 109.809 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -14.79 60.11 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.588 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.4 -28.32 13.25 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.716 -0.675 . . . . 0.0 112.701 -179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.556 HD13 HG21 ' A' ' 65' ' ' ILE . 41.4 pt -76.15 151.31 6.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.214 0.53 . . . . 0.0 111.096 -178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' N ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.98 -170.42 2.51 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.634 -177.452 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.5 m -77.59 125.23 29.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.2 m -121.29 151.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 120.979 0.419 . . . . 0.0 111.668 -173.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.6 m -93.21 126.78 49.51 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.512 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.9 130.91 38.92 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.057 2.504 . . . . 0.0 112.485 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.6 t -68.2 -37.94 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.799 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.8 173.03 12.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.376 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.85 -50.61 68.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.172 0.511 . . . . 0.0 109.935 176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' A' ' 34' ' ' LEU . . . -122.93 -163.56 11.84 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.144 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 42.8 t -67.65 112.2 4.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 22' ' ' GLU . 5.8 mp0 -62.01 -29.49 70.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.103 0.478 . . . . 0.0 110.096 -176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 12.8 tp10 -56.09 -53.26 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.93 176.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 29' ' ' SER . 70.2 m -66.6 -36.31 82.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.559 178.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 93.8 mt -67.15 -15.71 63.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.939 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -67.84 -25.58 65.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.036 0.446 . . . . 0.0 110.165 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 29' ' ' SER . 17.2 pt -124.18 -11.62 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.4 26.71 24.77 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.826 -177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.544 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 15.9 t -84.54 150.75 57.54 Favored Pre-proline 0 C--N 1.322 -0.594 0 C-N-CA 122.441 0.296 . . . . 0.0 110.523 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -73.66 -172.47 1.08 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.034 2.489 . . . . 0.0 112.497 174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.716 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 20.1 p90 -157.16 179.88 8.85 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.546 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 102' ' ' VAL . 55.9 t -106.26 -74.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 176.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -138.85 129.87 26.63 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.438 0.637 . . . . 0.0 111.027 177.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 50.9 mt -85.94 138.06 32.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.065 -176.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -112.7 130.68 55.97 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.972 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' HB ' ' HB2' ' A' ' 69' ' ' TYR . 18.4 tt -97.45 127.23 49.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.844 0.83 . . . . 0.0 110.563 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.2 t -74.79 113.48 12.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.597 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -72.33 -0.27 11.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 -174.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 m -96.86 -29.89 13.46 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.794 -0.362 . . . . 0.0 111.75 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.4 p -145.0 2.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.324 -0.551 . . . . 0.0 112.041 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.42 20.84 78.56 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.619 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -89.82 137.95 31.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -90.73 129.91 40.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.349 0.595 . . . . 0.0 110.859 -174.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -138.33 125.14 3.1 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.92 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.716 ' SG ' ' HB2' ' A' ' 31' ' ' TRP . 6.0 t -72.14 142.31 49.12 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.3 t -60.9 164.82 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.191 0.52 . . . . 0.0 111.779 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.555 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 11.2 p-10 -63.89 -13.81 48.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.358 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.11 -32.06 73.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.469 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.4 m -85.92 143.6 37.94 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.547 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -32.9 59.45 Favored 'Trans proline' 0 N--CA 1.474 0.351 0 C-N-CA 123.131 2.554 . . . . 0.0 113.158 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 -65.03 -35.48 81.31 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.291 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.555 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 50.2 mtmt 47.89 53.8 10.92 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.571 0.544 . . . . 0.0 111.727 179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 -78.88 -24.9 43.93 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.407 -0.517 . . . . 0.0 111.048 -173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.29 -45.15 77.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.803 0.335 . . . . 0.0 110.499 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 47' ' ' ASP . 8.8 p -71.74 -48.55 46.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.518 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -60.51 -37.37 80.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -65.74 -41.57 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.393 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' HZ ' HG13 ' A' ' 80' ' ' VAL . 14.3 t80 -59.35 -44.58 92.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.692 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -68.36 -31.99 71.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.722 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.3 -58.45 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.974 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.2 p -84.19 -23.01 30.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.13 44.78 12.76 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.258 -174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -115.98 99.99 53.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 98.8 Cg_endo -79.11 -18.43 11.29 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.865 2.377 . . . . 0.0 114.937 -167.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.556 HG21 HD13 ' A' ' 11' ' ' ILE . 46.4 mt -106.5 125.11 62.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 CA-C-O 121.571 0.7 . . . . 0.0 112.609 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.1 pt -123.19 159.61 27.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.829 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.08 168.67 17.56 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.6 101.32 2.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.147 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.672 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 25.1 t80 -91.89 -62.18 1.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.683 0.278 . . . . 0.0 111.457 -174.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.572 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 4.4 t70 -64.9 -51.95 53.27 Favored Pre-proline 0 CA--C 1.534 0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.464 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 5.1 Cg_endo -88.51 108.02 0.52 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.151 1.9 . . . . 0.0 110.715 171.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -69.6 84.57 0.62 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.513 2.142 . . . . 0.0 112.285 -177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.61 -37.43 3.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.91 75.92 1.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.609 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.41 ' HZ3' ' HB2' ' A' ' 77' ' ' TRP . 62.9 p-90 -157.3 146.51 20.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.811 0.338 . . . . 0.0 110.174 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.25 134.24 11.63 Favored Glycine 0 N--CA 1.441 -0.977 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.637 -176.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 75' ' ' TRP . 70.2 t-105 -113.51 128.89 56.6 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.432 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 6.9 t -110.83 107.6 17.14 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -52.48 -54.47 32.02 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -173.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG13 ' HZ ' ' A' ' 58' ' ' PHE . 11.5 m -62.86 -25.41 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.5 m-20 -93.06 -36.2 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.004 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 66.58 25.79 9.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.454 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.7 m -103.97 150.71 7.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.893 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -121.77 124.55 44.47 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.803 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 29.8 p90 -128.27 148.93 50.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.432 -178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -75.12 132.19 41.04 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -126.81 23.93 6.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.474 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.2 m -60.59 -25.97 66.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.261 0.553 . . . . 0.0 110.993 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.417 ' OD2' ' HG3' ' A' ' 90' ' ' ARG . 9.7 p-10 -81.2 -20.91 40.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.551 -179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HG3' ' OD2' ' A' ' 89' ' ' ASP . 80.7 mtt180 -124.92 17.15 8.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.785 -177.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.4 ptm -67.83 152.86 44.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.008 0.432 . . . . 0.0 111.841 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.8 m -108.42 105.12 56.11 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.784 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -65.96 149.92 85.91 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.937 2.424 . . . . 0.0 112.058 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.672 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 43.4 p-80 -61.05 133.48 56.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.001 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 33.7 p-10 -71.17 -36.23 71.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.965 -173.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.61 -160.77 8.79 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.293 -0.956 . . . . 0.0 112.812 -177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.11 112.33 2.71 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.234 2.623 . . . . 0.0 112.642 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -108.84 111.29 60.9 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.03 109.12 1.24 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.736 2.291 . . . . 0.0 111.754 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -74.89 109.13 8.1 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -80.83 -33.54 34.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.779 0.323 . . . . 0.0 110.509 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.57 HG21 HG13 ' A' ' 32' ' ' VAL . 3.4 m . . . . . 0 C--O 1.246 0.871 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.745 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.032 0.444 . . . . 0.0 110.97 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.6 t -126.72 -168.11 1.82 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.226 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.6 ttt -66.43 -45.44 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.041 0.448 . . . . 0.0 110.306 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.54 -116.27 2.61 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.273 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 26.4 p -174.94 178.03 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -65.44 -22.32 66.75 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.548 0.213 . . . . 0.0 111.349 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.9 m80 -60.79 -25.9 66.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.607 179.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 16.4 t -64.6 -29.18 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.336 0.589 . . . . 0.0 110.278 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.14 -2.21 29.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.243 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -117.97 2.02 17.15 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.799 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 38' ' ' ARG . 42.2 pt -101.07 153.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 111.028 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.425 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -132.57 168.0 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.208 -179.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 m -68.58 121.2 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 172.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.6 m -107.24 179.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.238 0.542 . . . . 0.0 111.892 -174.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 25.8 m -126.77 126.04 24.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.328 176.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 25.9 Cg_exo -63.04 130.11 27.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.641 2.228 . . . . 0.0 112.396 -179.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.8 p -76.08 -12.32 60.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.45 -173.28 3.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.606 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD22 ' HA3' ' A' ' 96' ' ' GLY . 81.1 mt -95.89 -43.86 7.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.66 -124.87 2.5 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.637 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 63.5 m -80.79 98.47 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.789 0.328 . . . . 0.0 111.295 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -49.02 -59.87 3.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.223 -0.898 . . . . 0.0 112.083 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' CD ' ' HE2' ' A' ' 53' ' ' HIS . 15.9 tt0 -65.27 -50.94 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.554 0.216 . . . . 0.0 111.22 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 29' ' ' SER . 79.3 m -51.46 -29.59 16.78 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -173.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 95.9 mt -55.55 -30.43 60.77 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HG3' HG23 ' A' ' 27' ' ' ILE . 19.9 ptmt -63.38 -28.74 70.2 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.541 -176.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.55 4.12 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.711 0.291 . . . . 0.0 111.469 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.79 40.19 95.52 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.087 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.624 ' HB3' ' HB3' ' A' ' 24' ' ' CYS . 30.0 t -80.48 123.45 82.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 -177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.17 172.32 16.48 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.874 2.383 . . . . 0.0 112.923 -178.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 48.8 p90 -152.06 159.54 43.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.612 -179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 33' ' ' HIS . 57.4 t -79.32 -61.39 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.73 -0.471 . . . . 0.0 109.73 174.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 92.3 m-70 -144.27 -175.57 4.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.747 176.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 45' ' ' CYS . 94.6 mt -131.24 142.82 50.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -175.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.592 ' HB2' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.79 147.33 46.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.079 174.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.533 HG22 ' HB2' ' A' ' 69' ' ' TYR . 12.2 tt -129.42 140.09 50.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.569 -173.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 m -67.59 142.27 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.175 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.55 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 13.3 mmm180 -81.9 38.86 0.54 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 170.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.74 -66.81 0.4 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.518 -172.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.0 p -99.13 -5.45 30.12 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.09 13.74 67.38 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.856 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -91.91 128.67 37.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 122.278 -0.542 . . . . 0.0 110.465 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.28 130.45 36.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.637 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -126.72 149.62 17.65 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.981 -0.628 . . . . 0.0 111.799 178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.79 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.3 p -79.9 153.02 29.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.639 0.22 . . . . 0.0 110.437 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 85.3 m -58.97 146.21 38.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.092 176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.59 ' HA ' ' HA ' ' A' ' 52' ' ' LYS . 17.9 m-20 -79.08 -0.77 32.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.458 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' A' ' 46' ' ' CYS . 2.3 m-20 -65.46 -27.92 68.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.031 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.41 ' OG ' HG23 ' A' ' 32' ' ' VAL . 16.4 m -85.74 142.7 37.16 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.415 175.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -48.33 -33.64 22.95 Favored 'Trans proline' 0 N--CA 1.474 0.343 0 C-N-CA 123.684 2.923 . . . . 0.0 113.806 -176.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.08 -39.88 91.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.161 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 47' ' ' ASP . 44.2 mtmt 44.7 74.24 0.13 Allowed 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.87 0.732 . . . . 0.0 112.354 -177.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 1.4 m80 -79.08 -38.02 37.35 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.669 -0.413 . . . . 0.0 112.053 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' OD2' ' A' ' 47' ' ' ASP . . . -64.91 -46.82 80.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -171.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.406 HG23 ' CG ' ' A' ' 47' ' ' ASP . 22.9 p -67.07 -45.15 78.21 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.57 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -67.08 -36.83 82.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 0.0 110.675 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -66.78 -40.52 88.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.992 175.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -61.71 -41.3 97.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.478 175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -64.89 -32.01 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.042 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.44 -43.66 12.62 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.297 0.481 . . . . 0.0 112.297 -176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 66.3 p -99.54 -28.11 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 -172.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.7 43.15 9.3 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.151 -176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.8 m170 -110.75 95.88 25.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 99.0 Cg_endo -79.29 -17.76 11.44 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 122.786 2.324 . . . . 0.0 114.126 -171.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.5 mt -103.06 120.74 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.411 0.624 . . . . 0.0 111.805 -176.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.592 ' HB ' ' HB2' ' A' ' 35' ' ' ARG . 27.8 pt -121.61 131.72 72.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.144 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 35.6 tt0 -101.03 146.92 26.81 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.567 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.21 101.2 0.53 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.901 176.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.648 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 50.5 t80 -91.09 -57.73 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.857 0.36 . . . . 0.0 111.267 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 5.3 t70 -72.14 -49.67 9.57 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.694 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 12.3 Cg_exo -70.89 112.76 3.36 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 121.813 1.675 . . . . 0.0 111.21 174.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.25 76.87 2.96 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.051 2.501 . . . . 0.0 112.216 -176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.01 -62.58 1.22 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.253 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.577 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 109.06 75.85 0.89 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.346 178.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -149.21 156.48 42.21 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.78 124.57 5.72 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.911 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.482 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 65.3 t-105 -99.69 137.61 37.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 7.4 t -118.71 106.56 12.7 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -50.66 -52.27 41.38 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG23 ' OD1' ' A' ' 81' ' ' ASP . 14.7 m -64.77 -19.74 26.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' OD1' HG23 ' A' ' 80' ' ' VAL . 2.1 m-20 -102.29 -31.81 10.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.794 0.331 . . . . 0.0 110.79 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.91 28.12 14.5 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.606 -175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.13 155.53 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.104 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.413 ' O ' ' HA ' ' A' ' 1' ' ' MET . 47.6 ttm -121.03 123.13 41.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.693 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 38.3 p90 -112.52 162.6 15.46 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.529 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.86 133.35 35.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 66.6 mt -135.68 22.41 3.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.403 175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.577 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 32.8 t -57.69 -33.06 67.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.977 -173.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -94.38 1.26 55.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.594 0.235 . . . . 0.0 111.59 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -134.22 6.97 3.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.817 -0.174 . . . . 0.0 111.18 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.606 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 20.8 ptm -67.06 153.66 43.13 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -167.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.7 m -91.8 102.77 6.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.862 174.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 91' ' ' MET . 12.1 Cg_exo -70.96 157.8 57.09 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 122.663 2.242 . . . . 0.0 112.11 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.648 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 9.0 p80 -49.43 126.93 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.664 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -63.48 -35.69 81.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.849 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.521 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -155.17 -153.69 6.61 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.623 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.04 136.85 28.01 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.963 2.442 . . . . 0.0 111.391 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 55.0 mt -128.23 124.36 22.95 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 -177.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.23 106.8 0.87 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.675 2.25 . . . . 0.0 111.804 175.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 23.2 tpp85 -86.6 112.7 21.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.506 . . . . 0.0 109.632 178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -85.91 -52.88 5.45 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.333 -176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 32' ' ' VAL . 2.5 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.056 -0.973 . . . . 0.0 111.321 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' HG3' ' HB2' ' A' ' 86' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.757 0.313 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.6 t -137.08 -176.47 4.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.359 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.0 ttp -68.93 148.4 50.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.84 157.56 53.49 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.778 179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.1 p -105.86 176.01 5.31 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -56.02 -28.25 56.57 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -67.01 -25.45 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.388 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.582 HG22 ' CZ ' ' A' ' 85' ' ' PHE . 21.2 t -66.08 -30.14 49.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.348 0 CA-C-O 121.227 0.537 . . . . 0.0 110.123 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.14 -13.91 62.41 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.835 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.9 -9.63 39.41 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.985 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 8' ' ' VAL . 45.7 pt -88.03 154.62 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.044 0.45 . . . . 0.0 110.962 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -129.46 174.25 9.81 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.9 -175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -85.48 108.91 18.12 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.3 166.42 2.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.386 0.612 . . . . 0.0 112.444 -171.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 52.6 m -108.02 121.95 42.24 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.167 175.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -59.78 123.64 13.69 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.842 2.361 . . . . 0.0 112.777 -177.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 -33.08 74.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.551 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.72 166.83 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.361 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mp -70.23 -44.32 68.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.33 0.586 . . . . 0.0 109.828 175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -131.76 -152.64 7.22 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.441 177.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.0 t -79.32 97.49 6.32 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.56 -30.58 71.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.357 -174.646 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.52 -41.36 98.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.262 0.553 . . . . 0.0 109.978 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 29' ' ' SER . 87.7 m -67.99 -30.07 69.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.636 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 22' ' ' GLU . 91.5 mt -68.48 -19.59 64.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.878 -178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -76.61 -16.51 59.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 110.69 -176.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.9 pt -127.4 -1.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.85 47.16 33.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.045 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 45.1 t -96.23 112.18 58.94 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.754 0.311 . . . . 0.0 110.501 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.11 115.87 3.7 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 123.022 2.481 . . . . 0.0 112.213 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 14.5 p90 -86.22 155.64 20.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.802 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.4 t -91.45 -53.6 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.912 177.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -137.98 168.79 18.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.056 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.441 HD13 ' HA2' ' A' ' 20' ' ' GLY . 97.7 mt -128.84 135.09 48.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 111.132 -176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.52 ' HD3' HD12 ' A' ' 66' ' ' ILE . 50.8 mtt180 -130.79 134.14 46.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.797 177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.435 HG22 ' HB2' ' A' ' 69' ' ' TYR . 10.1 tt -125.43 137.91 56.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.549 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.9 m -67.72 147.1 53.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.342 177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -86.65 36.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.275 0.56 . . . . 0.0 109.502 170.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -139.6 -67.57 0.44 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.287 -174.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.0 p -90.7 -19.69 23.3 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.81 13.15 83.43 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.48 -0.867 . . . . 0.0 113.412 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -87.39 128.12 35.2 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.9 t -89.53 131.1 37.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.437 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.01 148.46 18.14 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.675 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.417 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 29.9 p -73.07 140.18 47.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.934 0.367 . . . . 0.0 110.178 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 40.5 t -59.98 164.05 4.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.43 -176.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.617 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.7 p-10 -72.2 -4.63 30.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.412 -175.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -60.18 -47.22 86.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 p -78.92 141.33 58.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.149 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.1 -19.48 56.62 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.244 2.629 . . . . 0.0 113.057 -175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' HD2' ' HB2' ' A' ' 53' ' ' HIS . 6.7 t60 -66.67 -35.61 80.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.954 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 59.7 mtmt 42.88 52.35 5.15 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.003 0.814 . . . . 0.0 112.654 177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' HB2' ' HD2' ' A' ' 51' ' ' HIS . 7.6 t-160 -73.19 -16.99 61.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.673 -176.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.66 -46.33 26.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.738 0.304 . . . . 0.0 111.365 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.527 ' OG1' ' HB3' ' A' ' 52' ' ' LYS . 17.1 p -77.59 -47.59 19.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.693 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.75 -33.39 72.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.021 0.439 . . . . 0.0 110.517 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -61.97 -44.18 97.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.717 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -61.14 -44.42 97.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.384 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.96 -28.38 67.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.117 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.81 -55.01 3.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.764 0.316 . . . . 0.0 111.677 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.0 p -79.35 -40.33 30.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -172.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.94 38.62 6.4 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.998 -174.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.7 m170 -107.57 95.11 13.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 73.8 Cg_endo -75.94 -20.23 15.24 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 114.041 -170.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 77' ' ' TRP . 54.3 mt -103.4 120.14 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.541 0.686 . . . . 0.0 111.683 -177.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.52 HD12 ' HD3' ' A' ' 35' ' ' ARG . 21.2 pt -130.01 137.6 56.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.409 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.25 143.39 33.02 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.051 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.32 110.0 3.22 Favored Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.435 ' HB2' HG22 ' A' ' 36' ' ' ILE . 22.0 t80 -91.11 -37.77 13.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.66 0.245 . . . . 0.0 111.66 -172.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.1 p-10 -79.88 -33.62 0.8 Allowed Pre-proline 0 CA--C 1.543 0.682 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 10.0 Cg_endo -90.68 122.41 0.86 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 C-N-CA 121.894 1.729 . . . . 0.0 111.697 174.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 13.4 Cg_exo -71.34 50.7 1.29 Allowed 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.391 2.728 . . . . 0.0 112.459 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' ' HB2' ' A' ' 71' ' ' PRO . 39.2 mt-10 -98.36 -51.17 4.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.227 -179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.527 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 89.43 83.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.543 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 44.4 p-90 -154.0 154.23 33.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.674 0.273 . . . . 0.0 110.523 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.07 121.32 5.1 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.885 179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 70.7 t-105 -94.86 131.46 40.74 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.1 t -111.9 102.77 11.0 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 42.8 m-85 -43.56 -65.58 0.48 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.202 0.815 . . . . 0.0 113.202 -174.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 30.9 m -66.48 -22.55 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.56 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.98 -32.78 21.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 67.76 26.96 7.63 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.364 -178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 29.6 m -118.02 153.75 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.326 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.9 ttm -122.27 113.16 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.953 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 36.6 p90 -104.57 157.88 16.87 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 11.5 t70 -81.62 135.96 35.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 -175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.1 mt -133.73 17.78 3.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.387 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.527 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 56.0 p -61.24 -29.7 69.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.748 -172.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -83.58 -5.23 59.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.268 -177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -138.23 22.76 2.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.302 -177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -63.2 152.91 36.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.147 0.498 . . . . 0.0 112.295 -170.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 25.5 m -69.06 124.2 89.86 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.598 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -65.52 142.27 70.78 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.64 2.227 . . . . 0.0 112.405 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -70.22 125.37 26.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.531 178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -73.2 -28.72 62.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.7 -176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.67 -175.71 38.95 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.912 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.25 112.97 3.57 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 123.033 2.488 . . . . 0.0 111.557 177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 58.3 mt -89.84 126.35 57.87 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 20.4 Cg_exo -65.43 122.12 9.73 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.721 2.281 . . . . 0.0 111.351 174.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -103.43 110.29 22.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.11 -13.31 57.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.95 0.405 . . . . 0.0 110.622 -177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.753 177.675 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.512 HG22 ' HG3' ' A' ' 3' ' ' MET . 23.0 m -121.9 -80.97 0.63 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.139 -176.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.512 ' HG3' HG22 ' A' ' 2' ' ' THR . 85.0 mtp -141.48 168.52 19.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.751 -174.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 -167.36 34.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 173.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 46.4 t -162.66 144.7 10.55 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.3 -0.53 . . . . 0.0 111.331 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 6' ' ' ARG . 7.4 ptp85 -55.71 -26.94 47.8 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.135 0.574 . . . . 0.0 112.4 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -56.94 -24.06 49.91 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.231 176.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.507 HG22 HD11 ' A' ' 11' ' ' ILE . 0.5 OUTLIER -59.97 -28.78 41.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.121 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.99 -9.57 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.948 0.404 . . . . 0.0 111.306 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.33 -10.78 50.34 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.486 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.56 HD13 HG21 ' A' ' 65' ' ' ILE . 47.9 pt -101.01 149.49 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.991 0.424 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -133.78 -179.58 5.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.275 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.4 m -80.18 104.08 10.5 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG21 ' HA2' ' A' ' 41' ' ' GLY . 16.9 m -98.73 172.0 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.203 -171.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.3 m -102.97 124.67 37.76 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.545 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 38.2 Cg_exo -60.94 114.89 2.36 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.827 2.351 . . . . 0.0 112.352 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.1 t -57.35 -39.53 76.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.9 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.32 167.38 20.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.956 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD22 ' HA3' ' A' ' 96' ' ' GLY . 53.3 mt -78.18 -38.83 42.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.638 0.732 . . . . 0.0 109.25 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.522 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -127.53 -150.21 7.34 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.704 175.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.596 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 6.7 p -81.62 103.85 11.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.253 0.526 . . . . 0.0 110.17 176.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.13 -31.52 52.56 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.394 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 31.8 tp10 -56.61 -57.82 10.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.197 0.523 . . . . 0.0 110.6 176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.596 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m -69.88 -31.89 69.95 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.932 0.396 . . . . 0.0 110.722 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 HD21 ' HZ3' ' A' ' 31' ' ' TRP . 63.4 mt -71.17 -15.85 62.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.3 ptmt -76.44 -18.47 58.79 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.232 -178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.495 HG23 ' HG3' ' A' ' 26' ' ' LYS . 14.3 pt -122.74 -3.5 7.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.33 26.52 51.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.825 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.8 m -91.27 147.21 35.03 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 122.67 -0.312 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.95 176.72 9.09 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.683 2.255 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.471 ' HZ3' HD21 ' A' ' 25' ' ' LEU . 15.7 p90 -142.28 164.97 28.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.422 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 t -101.56 -55.81 5.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.113 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 34.6 m80 -136.58 156.88 47.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.347 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD13 ' HA2' ' A' ' 20' ' ' GLY . 92.9 mt -122.69 139.33 54.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.854 -176.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 99.7 mtt180 -125.5 121.2 33.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.487 178.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.52 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -96.46 120.91 46.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.998 0.904 . . . . 0.0 109.49 175.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 114.01 10.28 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.443 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 9.6 mmm180 -72.78 4.35 4.17 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -100.76 -54.18 2.89 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.311 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.9 -6.12 15.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.375 -173.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 77.59 17.32 79.15 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.847 -0.692 . . . . 0.0 113.662 177.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -94.89 137.82 33.47 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 44' ' ' GLY . 4.1 t -88.88 169.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -176.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 43' ' ' VAL . . . -169.05 149.64 14.08 Favored Glycine 0 N--CA 1.441 -1.026 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 175.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.0 p -76.48 138.29 40.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.73 0.3 . . . . 0.0 110.296 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 50.8 t -62.43 167.39 4.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.857 -178.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.539 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 2.1 p30 -65.81 -9.57 29.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.401 -179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -66.9 -24.64 66.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.175 0.512 . . . . 0.0 110.191 173.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.1 t -94.4 141.09 23.04 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.537 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.52 -31.76 50.27 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.323 2.682 . . . . 0.0 113.361 -177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.42 ' HE1' HD11 ' A' ' 27' ' ' ILE . 8.0 m80 -67.89 -43.69 78.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.602 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.539 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 48.6 mtmt 54.86 42.9 30.77 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.299 0.374 . . . . 0.0 111.194 -177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -68.33 -23.8 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.219 -174.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.74 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.6 0.238 . . . . 0.0 111.562 -178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.9 p -79.72 -43.03 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.801 0.334 . . . . 0.0 110.868 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 33.4 mtp85 -61.47 -34.51 75.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.834 178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -56.81 -42.28 79.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.055 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CZ ' HG13 ' A' ' 80' ' ' VAL . 22.6 t80 -62.3 -40.63 96.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.981 -179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -65.06 -26.93 68.46 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.826 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -90.16 -46.08 8.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.199 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 22.9 p -93.78 -23.64 18.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -173.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.21 33.01 50.59 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.885 -175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -102.01 97.91 9.13 Favored Pre-proline 0 C--N 1.33 -0.262 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.483 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 92.5 Cg_endo -84.33 9.56 4.08 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.198 2.598 . . . . 0.0 115.113 -166.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.56 HG21 HD13 ' A' ' 11' ' ' ILE . 42.4 mt -131.91 127.71 58.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.549 0.69 . . . . 0.0 111.957 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.565 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.6 pp -126.85 154.78 37.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.091 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.692 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 37.6 tt0 -118.01 141.52 48.38 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.069 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.98 110.89 3.67 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 111.351 -0.699 . . . . 0.0 111.351 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.505 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 22.1 t80 -95.91 -31.09 13.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.631 0.253 . . . . 0.0 111.65 -172.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 2.2 p-10 -81.6 -35.24 0.75 Allowed Pre-proline 0 CA--C 1.542 0.649 0 CA-C-O 119.059 -0.495 . . . . 0.0 112.2 179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.558 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 1.5 Cg_endo -83.9 123.16 3.14 Favored 'Trans proline' 0 C--N 1.361 1.228 0 C-N-CA 121.799 1.666 . . . . 0.0 110.888 174.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 11.9 Cg_exo -71.68 39.67 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.436 0 C-N-CA 123.287 2.658 . . . . 0.0 112.932 -177.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -98.33 -53.14 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.664 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.11 84.66 1.43 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.031 -176.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.426 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 36.2 p-90 -147.13 158.22 43.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.39 143.43 14.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.141 -179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.565 ' HB3' HD11 ' A' ' 66' ' ' ILE . 48.3 t-105 -119.84 128.29 53.55 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -98.31 106.75 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.189 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -51.7 -61.38 2.29 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.45 HG13 ' CZ ' ' A' ' 58' ' ' PHE . 11.6 m -65.37 -21.35 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -175.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 2.8 m-20 -89.61 -30.62 18.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 110.179 -179.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.72 28.61 17.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.627 -175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG22 ' HB2' ' A' ' 81' ' ' ASP . 33.7 m -110.51 144.3 18.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.578 176.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.464 ' HB2' ' CE3' ' A' ' 77' ' ' TRP . 26.7 ttt -110.85 137.64 48.24 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.037 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.32 150.05 42.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.65 156.89 22.45 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.211 0.529 . . . . 0.0 110.755 -178.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.486 HD22 ' HD2' ' A' ' 90' ' ' ARG . 90.4 mt -126.6 45.6 2.64 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.532 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.3 p -47.51 -43.56 24.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 -173.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -103.86 5.93 36.16 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.114 0.412 . . . . 0.0 112.114 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HD2' HD22 ' A' ' 87' ' ' LEU . 60.5 mtt180 -115.81 -9.51 11.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.59 0.233 . . . . 0.0 110.398 178.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.692 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ptm -56.75 138.9 52.34 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.637 -170.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -93.96 116.21 66.15 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.456 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -71.28 146.96 52.26 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.242 1.962 . . . . 0.0 110.662 175.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.505 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 6.1 p-80 -62.15 130.64 46.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 110.445 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.2 p-10 -86.47 -0.44 56.04 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.239 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.494 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -159.35 174.69 36.28 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 176.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.68 114.04 3.83 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.531 2.154 . . . . 0.0 112.139 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.411 HD11 ' CE2' ' A' ' 69' ' ' TYR . 49.5 mt -94.51 111.4 53.72 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.695 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.98 124.93 16.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.921 2.414 . . . . 0.0 112.363 -179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.411 ' O ' ' HD2' ' A' ' 100' ' ' ARG . 8.1 tmm_? -84.14 101.65 11.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.19 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -87.13 -26.01 23.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.036 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.403 ' OXT' ' HD3' ' A' ' 100' ' ' ARG . 3.6 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 117.987 -1.006 . . . . 0.0 111.012 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' A' ' 86' ' ' ASP . 61.5 ttp . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.519 ' CG2' ' HB ' ' A' ' 83' ' ' VAL . 15.0 t -136.81 -169.41 2.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 85.7 mmm -80.57 148.02 30.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.807 0.337 . . . . 0.0 111.065 -176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.65 144.67 45.85 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.393 178.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 29.3 p -97.45 165.57 11.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 -178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -62.32 -18.26 60.93 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 32.8 m170 -58.42 -24.86 61.28 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.761 0.315 . . . . 0.0 110.824 173.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -58.69 -28.9 38.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 178.42 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.28 -17.61 63.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -91.76 -12.55 59.17 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.688 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 HD13 HG21 ' A' ' 65' ' ' ILE . 46.5 pt -100.17 152.58 4.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.01 0.433 . . . . 0.0 110.526 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' H ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.62 177.49 7.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.096 -179.016 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.8 m -77.91 104.69 8.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 HG21 ' HA2' ' A' ' 41' ' ' GLY . 25.9 m -93.99 176.82 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.242 -174.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 88.6 m -119.73 122.83 28.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.789 175.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 32.3 Cg_exo -60.69 119.7 7.01 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.827 2.352 . . . . 0.0 112.18 -178.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.3 t -79.26 -22.64 44.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.07 148.35 50.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 19' ' ' LEU . 6.5 mp -79.06 -68.97 0.61 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.66 -152.79 28.19 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.711 173.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 45.9 t -82.93 107.65 15.68 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.516 -0.402 . . . . 0.0 110.806 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -45.16 -45.51 11.5 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.891 0.744 . . . . 0.0 111.517 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 9.3 tp10 -58.35 -59.15 5.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.106 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 29' ' ' SER . 63.2 m -61.33 -35.87 78.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 178.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 92.0 mt -68.52 -21.23 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -176.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 14.2 ptmt -71.41 -20.56 62.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.597 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.82 -6.78 10.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.473 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.35 44.04 7.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.977 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 42.2 t -110.19 147.78 36.98 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.42 174.74 12.29 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.411 2.074 . . . . 0.0 112.068 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 36.1 p90 -140.48 -179.65 6.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.416 177.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.08 -56.67 4.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.442 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 40.9 m80 -141.35 163.44 32.95 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' H ' ' CB ' ' A' ' 70' ' ' ASP . 92.4 mt -117.56 138.97 51.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.098 0.475 . . . . 0.0 111.256 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HD2' HD12 ' A' ' 66' ' ' ILE . 19.6 mmt85 -121.34 115.44 22.95 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.272 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.3 tt -96.35 128.58 47.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.888 0.851 . . . . 0.0 110.068 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.8 t -77.99 117.01 18.9 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.907 -176.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.9 mmm180 -72.26 -0.95 13.48 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 m -95.05 -51.65 4.56 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.843 0.354 . . . . 0.0 111.41 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.8 p -117.69 1.36 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.368 -172.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 71.18 20.03 77.75 Favored Glycine 0 C--N 1.33 0.22 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.863 176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -94.9 134.3 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.028 -0.669 . . . . 0.0 109.822 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.1 t -95.61 139.26 19.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.596 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.51 164.18 25.14 Favored Glycine 0 N--CA 1.446 -0.669 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 26.0 p -73.43 143.58 46.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.826 0.313 . . . . 0.0 110.236 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.442 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 34.5 t -64.59 170.34 4.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 6.7 p-10 -66.69 -16.52 64.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.708 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -66.37 -36.13 82.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.995 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.0 m -83.7 133.24 46.89 Favored Pre-proline 0 N--CA 1.449 -0.488 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.692 -175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -47.07 -33.65 15.52 Favored 'Trans proline' 0 N--CA 1.476 0.445 0 C-N-CA 124.319 3.346 . . . . 0.0 114.51 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.574 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 23.7 m-70 -66.86 -38.0 85.51 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.047 -176.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 53.7 mtmt 43.85 44.44 5.77 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.139 0.576 . . . . 0.0 112.552 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -75.19 -16.2 60.51 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.109 -0.637 . . . . 0.0 110.782 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.6 83.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.796 0.331 . . . . 0.0 110.594 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.0 p -71.71 -42.46 67.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.09 0.472 . . . . 0.0 110.4 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.0 mtp85 -61.81 -30.06 70.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.641 -0.708 . . . . 0.0 111.151 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.11 -39.63 95.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.73 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -64.84 -35.59 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.299 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -70.14 -27.56 64.66 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.558 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.69 -52.92 5.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.81 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.4 p -92.08 -40.66 10.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 93.66 35.34 6.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.5 -0.857 . . . . 0.0 111.659 -173.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 m170 -104.97 102.74 37.53 Favored Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 97.2 Cg_endo -83.62 -0.3 9.7 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.124 2.549 . . . . 0.0 115.215 -166.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.497 HG21 HD13 ' A' ' 11' ' ' ILE . 49.5 mt -124.21 126.77 72.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.512 0.672 . . . . 0.0 112.349 -176.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 HD12 ' HD2' ' A' ' 35' ' ' ARG . 28.3 pt -127.72 158.15 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.151 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.478 ' HB3' HG23 ' A' ' 36' ' ' ILE . 38.3 tt0 -125.12 151.45 45.71 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.007 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.08 108.36 2.47 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.031 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -96.1 -37.37 10.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.69 0.281 . . . . 0.0 110.645 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.63 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 15.8 t70 -71.34 -46.81 13.74 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.318 176.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.63 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 33.2 Cg_endo -98.55 90.01 0.06 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 122.538 2.158 . . . . 0.0 110.431 165.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 6.2 Cg_exo -78.13 49.34 2.96 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.46 2.773 . . . . 0.0 112.6 -171.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -84.06 -3.93 58.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.668 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 88' ' ' SER . . . 77.86 68.93 1.45 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.484 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.603 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 60.4 p-90 -140.58 143.11 35.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 178.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.37 137.92 13.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.772 -176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -111.08 130.86 55.48 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -111.2 114.49 27.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 65.7 m-85 -54.03 -65.07 0.63 Allowed 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -172.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -64.92 -20.16 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.6 OUTLIER -89.27 -34.81 16.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.905 0.383 . . . . 0.0 110.133 -179.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 63.96 28.74 14.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.273 -175.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' HB ' ' CG2' ' A' ' 2' ' ' THR . 23.3 m -110.68 148.65 13.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.47 178.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.4 ttp -120.22 123.74 43.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.522 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -125.94 166.78 16.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -176.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.529 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 21.1 t70 -84.16 136.1 34.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.196 -177.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.5 mt -134.73 20.35 3.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.167 177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.506 ' HA ' ' HA3' ' A' ' 74' ' ' GLY . 47.4 t -57.77 -33.44 68.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.77 0.319 . . . . 0.0 111.745 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -94.63 6.43 48.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.848 0.356 . . . . 0.0 110.712 -177.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -138.79 16.38 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.484 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -72.78 168.93 17.79 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.351 0.596 . . . . 0.0 112.49 -169.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -88.53 129.28 49.72 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -70.03 122.59 9.2 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.225 1.95 . . . . 0.0 111.439 174.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -61.32 144.4 54.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 0.0 110.663 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -87.44 -33.35 19.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.77 -174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -158.64 -169.81 22.52 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.184 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.48 143.79 35.16 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.812 2.341 . . . . 0.0 112.055 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 68.2 mt -118.46 126.72 27.01 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.213 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.74 108.44 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 111.736 176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -77.23 111.31 12.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.937 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -100.72 -22.7 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.249 1.035 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.0 179.049 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.436 0.636 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.8 m -111.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.64 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 4' ' ' GLY . 26.9 ttt -156.18 139.47 15.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.439 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 3' ' ' MET . . . -82.45 179.59 53.09 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.328 174.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 22.2 p -151.85 166.73 30.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.111 0.456 . . . . 0.0 110.188 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -59.24 -24.84 63.52 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.423 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 34.9 m170 -62.79 -25.11 68.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.298 177.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.763 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -64.45 -27.57 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.981 0.42 . . . . 0.0 110.72 -177.551 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.67 -0.59 18.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 110.961 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -113.29 11.84 24.01 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.485 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.763 HG12 ' O ' ' A' ' 8' ' ' VAL . 28.6 pt -100.36 152.23 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.167 0.508 . . . . 0.0 110.432 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -132.75 158.98 41.04 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.333 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.436 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 58.4 m -74.04 104.47 4.88 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 174.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG21 ' HA2' ' A' ' 41' ' ' GLY . 20.3 m -98.93 175.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.533 -170.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 38.0 m -109.2 126.95 28.16 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.111 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 24.6 Cg_exo -63.45 123.62 12.4 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.876 2.384 . . . . 0.0 112.157 178.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 4.9 m -63.57 -28.66 70.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.872 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.16 172.49 16.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.549 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.453 ' HA ' ' OD1' ' A' ' 95' ' ' ASN . 8.1 mp -65.82 -54.9 20.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.284 0.564 . . . . 0.0 110.07 178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.23 -144.43 12.1 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.436 174.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.3 t -74.76 122.18 22.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.612 0.244 . . . . 0.0 110.404 179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -54.57 -44.48 72.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.737 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.64 ' HA ' ' HD2' ' A' ' 26' ' ' LYS . 42.4 tt0 -61.42 -45.02 96.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.189 0.519 . . . . 0.0 110.804 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HB3' ' O ' ' A' ' 29' ' ' SER . 92.7 m -63.92 -39.06 93.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.859 0.361 . . . . 0.0 111.072 -179.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.97 -17.57 62.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.64 ' HD2' ' HA ' ' A' ' 23' ' ' GLU . 9.9 ptmt -85.81 -14.04 46.3 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.925 -176.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.5 pt -126.44 -10.01 4.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.85 48.84 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.328 -0.939 . . . . 0.0 111.428 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.564 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 29.2 t -109.1 145.72 32.35 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -80.32 -176.03 3.0 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.658 2.239 . . . . 0.0 112.523 177.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.52 ' CD1' HD21 ' A' ' 34' ' ' LEU . 5.4 p90 -158.87 162.58 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.486 179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.529 HG22 HG21 ' A' ' 102' ' ' VAL . 46.3 t -102.12 -64.81 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.904 175.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.501 ' HB2' ' CB ' ' A' ' 46' ' ' CYS . 35.5 m80 -123.39 158.13 31.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.93 178.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD23 ' HB3' ' A' ' 70' ' ' ASP . 2.9 mm? -119.85 132.15 55.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.021 0.439 . . . . 0.0 110.614 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HD2' ' CB ' ' A' ' 54' ' ' ALA . 98.9 mtt180 -117.64 116.87 27.94 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.21 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.499 HG23 ' HB3' ' A' ' 67' ' ' GLU . 15.8 tt -96.24 119.12 43.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 122.192 0.996 . . . . 0.0 109.394 175.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.2 t -72.43 109.8 6.38 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.465 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.436 ' NH2' ' HA ' ' A' ' 13' ' ' THR . 14.6 mmm-85 -69.36 6.66 0.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -173.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.3 m -101.2 -49.96 3.92 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.13 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.5 p -118.34 -3.25 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.742 0.306 . . . . 0.0 111.49 -172.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG21 ' A' ' 14' ' ' VAL . . . 81.26 8.35 87.33 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 114.389 174.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.444 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 11.1 t-80 -88.15 122.26 31.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 117.683 0.741 . . . . 0.0 109.81 -176.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.49 130.58 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.326 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.08 156.51 22.6 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 4.6 p -73.42 143.34 46.78 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.987 0.422 . . . . 0.0 110.915 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' CB ' ' HB2' ' A' ' 33' ' ' HIS . 35.6 t -66.54 171.37 5.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.077 -178.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 7.4 p-10 -76.87 0.25 21.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -177.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.409 ' HB2' ' HB ' ' A' ' 32' ' ' VAL . 15.0 m-20 -71.51 -22.41 61.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.406 0.622 . . . . 0.0 109.776 171.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 m -99.4 144.57 28.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.014 -177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -52.35 -29.7 39.99 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.543 2.828 . . . . 0.0 113.355 -177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.1 m-70 -62.54 -49.1 76.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.952 178.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 51.9 mtmt 51.69 39.37 25.12 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.091 0.472 . . . . 0.0 111.358 -177.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 -18.77 63.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.53 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 35' ' ' ARG . . . -64.11 -40.78 96.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.476 179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.0 p -79.65 -40.03 30.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 0.0 110.445 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -56.73 -37.2 70.66 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.6 176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.46 -44.65 96.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.406 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -64.16 -38.16 90.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.496 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -62.72 -31.78 72.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.4 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -88.13 -58.39 2.58 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -176.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.2 p -84.3 -30.08 25.85 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -173.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.61 41.53 12.9 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.392 -0.908 . . . . 0.0 111.816 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -107.0 100.28 31.23 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 84.3 Cg_endo -82.09 1.95 8.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.97 2.447 . . . . 0.0 114.772 -167.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.2 mt -125.76 126.89 70.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.462 0.649 . . . . 0.0 111.897 -177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' ' 77' ' ' TRP . 2.7 pp -126.61 155.59 37.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.861 176.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB3' HG23 ' A' ' 36' ' ' ILE . 42.2 tt0 -117.34 140.94 48.93 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.034 179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.85 106.72 1.84 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.482 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 11.2 t80 -93.24 -34.54 13.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.687 0.279 . . . . 0.0 111.409 -172.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' HB3' HD23 ' A' ' 34' ' ' LEU . 2.6 p-10 -73.62 -35.72 2.69 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-O 119.139 -0.458 . . . . 0.0 111.819 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.528 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 12.3 Cg_endo -92.7 117.67 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 C-N-CA 121.99 1.794 . . . . 0.0 111.355 172.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 12.9 Cg_exo -70.81 25.17 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.393 2.729 . . . . 0.0 113.034 -177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 71' ' ' PRO . 35.8 mm-40 -77.79 -35.86 51.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.591 178.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.99 84.43 0.59 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.293 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -143.58 153.72 42.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.723 0.296 . . . . 0.0 110.493 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -122.33 135.52 10.3 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.123 -178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' HB3' HD11 ' A' ' 66' ' ' ILE . 66.0 t-105 -110.62 128.19 55.57 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.4 t -106.58 110.52 22.74 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -53.16 -60.15 3.66 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -172.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' OD1' ' A' ' 81' ' ' ASP . 17.3 m -67.05 -20.97 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -87.98 -38.96 15.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.169 -179.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 65.64 28.69 11.16 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.825 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 81' ' ' ASP . 34.6 m -115.63 136.38 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.867 174.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.8 ttm -100.69 124.5 46.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.944 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -117.91 171.06 8.32 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.96 146.6 24.13 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.96 0.41 . . . . 0.0 110.263 -175.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 70.4 mt -137.94 19.43 2.83 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.002 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -54.82 -38.74 67.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.214 -172.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -77.06 -21.13 54.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.815 0.341 . . . . 0.0 111.328 -175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -125.98 15.23 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -170.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.5 ptm -70.26 162.46 28.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.485 -172.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 m -84.21 115.24 59.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.202 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.29 139.06 81.01 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.447 2.098 . . . . 0.0 111.363 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.482 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 36.9 p-80 -63.55 136.76 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.658 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.453 ' OD1' ' HA ' ' A' ' 19' ' ' LEU . 32.4 p-10 -85.18 -7.45 59.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.643 -178.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.21 174.16 46.8 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.69 115.98 3.85 Favored 'Trans proline' 0 N--CA 1.465 -0.202 0 C-N-CA 122.813 2.342 . . . . 0.0 111.864 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 53.6 mt -89.9 114.95 62.67 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.857 0.36 . . . . 0.0 110.493 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -76.86 118.53 4.82 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.829 2.353 . . . . 0.0 113.357 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -79.64 113.35 17.72 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -88.09 -46.99 8.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.291 -176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.529 HG21 HG22 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 C--O 1.245 0.85 0 CA-C-O 117.895 -1.05 . . . . 0.0 111.33 -175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.974 0.416 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 m -96.22 -58.35 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.189 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 42.0 tpp -170.94 145.49 2.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.85 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.61 -177.52 46.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.101 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.3 t -161.76 148.36 14.03 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 122.569 -0.371 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -56.8 -26.54 58.19 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -62.49 -26.32 68.47 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.193 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 11' ' ' ILE . 17.1 t -67.7 -30.87 50.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-O 121.15 0.5 . . . . 0.0 110.787 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.64 -6.57 41.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.546 -174.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.84 0.19 22.97 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.157 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 8' ' ' VAL . 40.1 pt -91.82 152.77 3.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 117.173 0.487 . . . . 0.0 111.184 -177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -112.55 176.67 4.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.66 -177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.485 ' HA ' ' NH2' ' A' ' 38' ' ' ARG . 29.8 m -95.83 123.12 39.28 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 170.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.0 m -110.38 167.28 4.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.345 0.593 . . . . 0.0 112.339 -170.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.5 m -103.04 125.16 36.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.48 173.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.676 ' HB3' ' HE2' ' A' ' 69' ' ' TYR . 31.8 Cg_exo -58.65 115.21 2.39 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.793 2.329 . . . . 0.0 112.77 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.8 t -56.52 -35.26 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.318 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.99 176.02 9.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.86 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mp -86.96 -44.57 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.806 178.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -121.23 -148.56 7.95 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.5 m -72.32 91.75 1.35 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.929 0.364 . . . . 0.0 110.133 175.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -47.69 -38.08 14.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.604 0.716 . . . . 0.0 110.428 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 69.6 tt0 -61.37 -65.52 0.68 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.449 -1.251 . . . . 0.0 111.521 177.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 56.4 m -63.14 -30.08 71.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 mt -64.68 -27.2 68.76 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.623 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 19.9 ptmt -69.97 -22.8 63.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.707 0.289 . . . . 0.0 110.777 -177.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG23 ' HG3' ' A' ' 26' ' ' LYS . 21.8 pt -116.84 10.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.447 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.01 37.3 91.98 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.761 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.2 m -105.04 142.17 24.1 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -79.26 -169.05 0.71 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.554 2.169 . . . . 0.0 112.178 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 35.1 p90 -156.72 167.33 30.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.895 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 22.3 t -96.33 -56.95 4.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.154 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 32' ' ' VAL . 95.4 m-70 -133.07 176.59 8.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.362 176.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 86.6 mt -128.83 137.84 51.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -174.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 66' ' ' ILE . 96.8 mtt180 -139.47 146.73 40.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.291 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 67' ' ' GLU . 9.4 tt -135.43 136.07 51.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 178.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 88.7 m -64.03 147.98 50.82 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.072 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.577 ' HD3' ' HB2' ' A' ' 67' ' ' GLU . 9.4 mmm180 -85.9 30.35 0.67 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 170.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -140.06 -74.58 0.35 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.582 -172.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.401 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 17.7 p -85.0 -6.53 59.33 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.68 12.1 63.75 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.068 -0.587 . . . . 0.0 114.116 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -94.28 135.49 35.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.347 0.574 . . . . 0.0 110.442 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.4 t -90.98 139.05 18.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.506 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.12 166.63 26.29 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.57 -178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 18.7 p -78.35 140.01 38.79 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.8 m -80.59 178.55 8.26 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.334 -173.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.464 ' HB3' HG23 ' A' ' 55' ' ' THR . 12.2 p-10 -77.83 -11.36 59.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.117 0.484 . . . . 0.0 110.317 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.519 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.4 p30 -77.01 -22.28 53.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.955 171.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.6 m -91.42 146.77 33.97 Favored Pre-proline 0 N--CA 1.447 -0.621 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.772 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -45.42 -40.66 17.61 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 123.997 3.131 . . . . 0.0 114.707 -173.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 7.9 m170 -67.92 -36.97 81.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? 49.35 43.99 23.44 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.118 0.567 . . . . 0.0 110.998 -175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -79.14 -26.76 42.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.209 -175.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.33 -38.92 78.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 HG23 ' HB3' ' A' ' 47' ' ' ASP . 22.3 p -73.79 -47.82 36.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.301 0.572 . . . . 0.0 110.746 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.64 -35.93 82.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.88 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -62.07 -36.44 81.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.538 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -62.1 -43.01 99.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.016 174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -64.82 -34.09 77.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 178.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.54 -51.7 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.2 p -99.0 -26.44 14.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -172.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 47.33 5.81 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.363 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CE1' ' HB3' ' A' ' 40' ' ' CYS . 44.5 m170 -110.9 94.72 21.13 Favored Pre-proline 0 C--N 1.331 -0.233 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -84.07 -6.31 10.34 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.316 2.677 . . . . 0.0 114.752 -168.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.502 HG21 HD13 ' A' ' 11' ' ' ILE . 31.3 mt -122.75 128.72 75.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-O 121.588 0.709 . . . . 0.0 111.584 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.63 HD12 ' HD3' ' A' ' 35' ' ' ARG . 5.1 pt -124.85 138.27 54.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.456 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.586 ' HG2' ' HB ' ' A' ' 92' ' ' THR . 7.3 tp10 -89.37 148.95 23.22 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.219 175.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -79.04 102.81 1.95 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.455 177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.676 ' HE2' ' HB3' ' A' ' 16' ' ' PRO . 12.4 t80 -86.35 -33.38 20.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.973 0.416 . . . . 0.0 110.074 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 0.8 OUTLIER -69.07 -50.97 19.32 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.757 175.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.55 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 56.8 Cg_endo -103.44 84.99 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.107 0 C-N-CA 122.874 2.383 . . . . 0.0 111.345 166.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.545 ' HD3' ' O ' ' A' ' 70' ' ' ASP . 4.0 Cg_exo -73.42 73.51 3.35 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.818 2.345 . . . . 0.0 111.956 -176.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -108.28 -10.19 15.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.584 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.24 82.1 1.25 Allowed Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.656 -177.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.547 ' HZ2' ' HG2' ' A' ' 71' ' ' PRO . 63.0 p-90 -158.39 151.99 23.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.963 0.411 . . . . 0.0 110.096 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 66' ' ' ILE . . . -125.84 134.6 8.77 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.771 -176.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.553 ' HB3' HG13 ' A' ' 66' ' ' ILE . 68.8 t-105 -101.73 127.63 48.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -100.76 105.76 17.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 179.277 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -46.67 -71.28 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -172.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.6 m -61.29 -24.78 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -173.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 3.9 m-20 -83.7 -31.18 26.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.001 0.429 . . . . 0.0 110.338 -178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 63.98 28.41 14.42 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.25 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.3 m -117.72 147.12 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.668 177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 49.7 ttm -106.82 150.77 26.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.462 177.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 8' ' ' VAL . 23.7 p90 -146.47 168.7 20.55 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.46 147.03 23.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.021 0.438 . . . . 0.0 110.439 -178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.26 35.07 3.25 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.602 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -55.22 -38.26 68.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.698 -175.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.31 -20.77 62.99 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -127.64 24.26 6.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.767 -175.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.8 ptm -59.83 141.94 54.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -171.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.586 ' HB ' ' HG2' ' A' ' 67' ' ' GLU . 41.9 m -101.14 111.07 62.95 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.28 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.88 160.7 33.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.766 2.311 . . . . 0.0 112.39 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -66.62 151.79 46.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.331 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 16' ' ' PRO . 41.2 t-20 -69.88 -53.88 16.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.488 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -157.48 -156.93 8.14 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.962 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -65.04 113.52 2.42 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.982 2.455 . . . . 0.0 112.104 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.1 mt -94.01 127.99 42.95 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.678 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.08 103.95 0.38 Allowed 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 111.514 175.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -82.47 128.5 34.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.558 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -107.39 -57.52 2.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.245 0.865 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 178.289 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.834 0.349 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.599 HG21 ' HB ' ' A' ' 83' ' ' VAL . 15.2 t -122.11 -168.54 1.73 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.3 mmt -106.66 171.64 7.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.543 0.211 . . . . 0.0 110.728 178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.9 146.65 22.29 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.925 -0.58 . . . . 0.0 113.665 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 30.9 p -108.69 172.74 6.67 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -31.26 12.31 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -65.49 -23.91 67.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.59 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 5' ' ' CYS . 0.7 OUTLIER -61.5 -29.34 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.86 0.362 . . . . 0.0 110.825 -178.506 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.02 -20.47 63.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.985 0.421 . . . . 0.0 110.888 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.57 -32.35 11.71 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.741 -178.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.43 HG12 ' HA ' ' A' ' 8' ' ' VAL . 48.4 pt -75.8 152.61 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.1 0.476 . . . . 0.0 111.395 -178.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -121.05 174.28 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.405 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 p -78.47 119.16 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 169.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.423 ' HB ' ' CA ' ' A' ' 41' ' ' GLY . 16.4 m -107.87 156.26 8.43 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.62 -172.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -96.25 127.11 41.56 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.168 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -64.56 122.98 11.03 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.591 2.194 . . . . 0.0 111.967 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -66.89 -32.49 73.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.058 -179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.67 -178.07 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.763 -179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.26 -62.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.484 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' HA3' ' CZ2' ' A' ' 31' ' ' TRP . . . -109.05 -152.87 15.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.405 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 86.4 m -66.9 112.98 4.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.681 0.277 . . . . 0.0 110.858 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CD ' ' HD1' ' A' ' 42' ' ' HIS . 35.9 mt-10 -52.13 -46.23 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.965 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 41.0 tt0 -60.55 -46.05 91.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.462 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' HB3' ' O ' ' A' ' 29' ' ' SER . 71.3 m -65.63 -30.25 70.94 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.685 0.279 . . . . 0.0 111.226 -178.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 21' ' ' CYS . 89.9 mt -67.7 -22.77 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 20.9 ptmt -73.0 -20.36 61.03 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.183 -176.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.598 HG23 ' HG3' ' A' ' 26' ' ' LYS . 17.8 pt -125.62 -5.26 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.91 47.14 9.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.754 -177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 47.1 t -101.27 141.62 22.97 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.98 173.1 14.15 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.425 2.083 . . . . 0.0 112.12 176.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.452 ' CZ2' ' HA3' ' A' ' 20' ' ' GLY . 15.0 p90 -149.56 158.34 44.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.212 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.8 t -92.36 -68.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.365 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . 39.5 m80 -126.74 146.73 50.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.996 0.427 . . . . 0.0 110.285 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' H ' ' HB3' ' A' ' 70' ' ' ASP . 88.0 mt -96.96 134.15 40.7 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.53 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.7 mtt180 -127.58 118.21 23.5 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 92' ' ' THR . 12.4 tt -96.04 124.12 48.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 122.055 0.931 . . . . 0.0 109.808 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' HA ' HG22 ' A' ' 66' ' ' ILE . 44.4 t -72.79 112.94 9.29 Favored 'General case' 0 C--N 1.307 -1.262 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.749 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD3' ' OE1' ' A' ' 67' ' ' GLU . 10.2 mmm180 -72.92 8.69 1.43 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -171.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.9 m -107.94 -35.87 6.51 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.616 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.27 0.71 6.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.539 -175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 14' ' ' VAL . . . 74.56 10.98 82.97 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 113.866 172.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.4 ' HD1' ' CD ' ' A' ' 22' ' ' GLU . 64.7 m-70 -94.76 143.06 26.75 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.748 -178.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.8 t -95.02 124.92 47.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.112 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -117.96 150.88 18.15 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.382 -178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 p -73.05 126.32 29.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 175.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 33' ' ' HIS . 26.3 p -68.69 177.12 2.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.101 -174.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.563 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -73.68 -6.36 46.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.726 179.062 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -74.13 -22.66 59.36 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 173.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.8 t -90.73 147.6 36.54 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.19 -177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.56 -9.95 22.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.845 2.364 . . . . 0.0 112.627 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -80.61 -57.75 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.941 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 35.3 mtmt 58.46 41.37 22.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.649 -177.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -73.23 -24.1 60.45 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.12 -44.37 84.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.189 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.438 HG22 ' HE1' ' A' ' 79' ' ' TYR . 17.9 p -68.0 -45.94 72.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 -178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -66.63 -24.89 66.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.589 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -64.07 -34.52 78.23 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.869 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -63.79 -44.92 91.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.66 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -64.35 -26.87 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.869 0.366 . . . . 0.0 110.436 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -82.97 -56.78 3.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.989 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.5 p -92.1 -21.34 20.5 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -172.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.4 41.06 31.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.996 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -108.67 101.52 43.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.499 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.7 Cg_endo -81.45 -10.54 12.11 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.908 2.405 . . . . 0.0 115.285 -166.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 52.3 mt -122.65 126.96 74.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-O 121.545 0.688 . . . . 0.0 112.397 -176.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' OH ' ' A' ' 79' ' ' TYR . 31.7 pt -128.0 142.86 42.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.981 -1.009 . . . . 0.0 109.984 174.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 30.9 tt0 -101.07 145.93 28.1 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.691 -176.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.29 100.24 1.14 Allowed Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 174.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.715 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 5.3 t80 -83.09 -39.46 21.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.934 0.397 . . . . 0.0 110.58 -173.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.574 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 17.5 t70 -76.89 -52.8 1.91 Allowed Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.802 178.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 31.7 Cg_exo -59.42 119.48 6.74 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.697 1.598 . . . . 0.0 111.961 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 23.1 Cg_exo -66.06 -1.8 5.83 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.251 2.634 . . . . 0.0 112.69 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 35.0 mt-10 -62.1 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.675 177.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.64 79.78 0.65 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.966 -176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 29.6 p-90 -138.29 165.63 26.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.823 0.344 . . . . 0.0 111.077 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.32 136.32 9.75 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.831 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -104.83 132.33 51.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.0 t -115.23 117.35 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' OH ' HD13 ' A' ' 66' ' ' ILE . 86.8 m-85 -58.07 -67.24 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -172.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.9 m -63.09 -21.35 27.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.537 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.81 -34.89 20.98 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.224 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 64.45 27.23 13.54 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.665 -175.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.599 ' HB ' HG21 ' A' ' 2' ' ' THR . 28.1 m -114.71 142.08 28.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.513 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 51.2 ttm -108.79 113.22 25.99 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.383 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -110.81 152.49 26.59 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -73.89 135.09 43.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.989 0.423 . . . . 0.0 111.088 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.1 mt -131.21 21.01 4.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.214 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 64.6 p -59.69 -33.8 72.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.953 0.406 . . . . 0.0 111.916 -171.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -79.05 -20.15 49.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.174 0.511 . . . . 0.0 110.746 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 90' ' ' ARG . 44.7 mtt180 -122.92 22.58 9.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.111 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 27.0 ptm -84.2 167.21 16.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.317 0.58 . . . . 0.0 112.017 -169.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.48 HG21 HD13 ' A' ' 36' ' ' ILE . 27.9 m -87.07 127.68 58.52 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.479 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 18.1 Cg_exo -66.41 136.42 43.21 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 122.81 2.34 . . . . 0.0 111.887 176.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.715 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 42.2 p-80 -78.64 129.56 34.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.21 6.23 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.533 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 169.36 173.75 37.22 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.72 109.54 0.79 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.628 2.219 . . . . 0.0 111.434 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 64.3 mt -80.65 131.21 61.6 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.365 -176.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 15.2 Cg_exo -68.8 107.9 1.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.825 2.35 . . . . 0.0 111.989 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -104.11 111.59 24.23 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -83.72 -25.66 30.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.082 -171.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.246 0.895 0 CA-C-O 119.071 -0.49 . . . . 0.0 111.523 -175.869 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.795 0.331 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.537 HG21 ' HB ' ' A' ' 83' ' ' VAL . 17.6 m -149.07 145.15 27.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.815 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.0 ttm -65.36 130.16 42.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.293 175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.19 122.67 30.21 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.654 176.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.2 p -71.37 169.13 15.95 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -57.61 -26.08 61.02 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.483 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 33.2 m170 -62.95 -25.8 68.53 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.3 176.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -65.83 -27.34 40.96 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-O 121.112 0.482 . . . . 0.0 110.393 -177.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.13 -3.84 41.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.841 0.353 . . . . 0.0 110.91 177.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.8 -3.55 39.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.863 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 8' ' ' VAL . 24.0 pt -88.07 151.41 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.946 0.403 . . . . 0.0 110.428 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -117.99 167.49 11.39 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 m -80.38 99.43 7.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.433 0.635 . . . . 0.0 109.681 176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -95.8 166.76 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.805 -175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 m -114.37 129.59 24.75 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.235 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -55.47 131.8 48.37 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.099 2.533 . . . . 0.0 112.927 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.631 ' OG ' ' HA ' ' A' ' 42' ' ' HIS . 1.2 m -61.89 -40.65 96.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.62 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 -179.08 7.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.536 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 19' ' ' LEU . 6.2 mp -78.53 -47.99 16.18 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -111.66 -165.0 17.85 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.716 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.733 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 42.8 t -78.85 104.15 9.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -49.99 -43.02 50.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.533 -176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 45.4 tt0 -52.88 -57.4 10.39 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.97 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.764 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 27.9 p -70.39 -28.26 64.95 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.199 -0.313 . . . . 0.0 111.146 -174.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.5 mt -59.4 -28.18 66.68 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.343 0.498 . . . . 0.0 112.343 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.593 ' HG3' HG23 ' A' ' 27' ' ' ILE . 20.2 ptmt -69.05 -23.84 64.1 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.879 0.371 . . . . 0.0 111.151 -175.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.593 HG23 ' HG3' ' A' ' 26' ' ' LYS . 19.2 pt -118.93 2.43 7.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 0.0 111.232 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.39 46.86 61.17 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.339 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.764 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 43.8 t -95.82 123.6 55.22 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 29' ' ' SER . 12.7 Cg_exo -69.18 129.59 18.49 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.948 2.432 . . . . 0.0 112.349 -177.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.437 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 21.0 p90 -94.77 161.35 14.21 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.275 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 t -104.76 -51.99 7.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.158 0.504 . . . . 0.0 109.821 176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' HB3' ' NH2' ' A' ' 35' ' ' ARG . 87.5 m-70 -138.37 150.49 46.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.347 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD13 ' HA2' ' A' ' 20' ' ' GLY . 89.6 mt -125.79 135.45 52.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.484 -175.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.584 ' HB3' ' HB ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -127.14 140.12 52.49 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.014 0.435 . . . . 0.0 110.343 175.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 67' ' ' GLU . 11.2 tt -102.74 124.8 57.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.816 0.817 . . . . 0.0 109.807 178.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -73.75 109.58 7.37 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.358 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 38' ' ' ARG . 9.3 mmm180 -69.16 1.87 3.29 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -172.134 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.5 m -95.86 -54.64 3.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.06 0.457 . . . . 0.0 111.177 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 28.3 p -106.5 -16.85 14.43 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.105 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 92.01 13.8 57.19 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.62 177.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.631 ' HA ' ' OG ' ' A' ' 17' ' ' SER . 6.2 t-80 -91.09 132.75 35.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.353 0.576 . . . . 0.0 110.479 -176.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.1 t -91.9 139.91 17.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.536 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.75 150.81 22.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.121 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 51' ' ' HIS . 8.7 p -73.59 148.65 42.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 7.4 t -72.9 175.63 6.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.794 -175.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' HA ' ' HG2' ' A' ' 52' ' ' LYS . 8.0 p-10 -70.01 -20.35 63.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.915 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.82 -24.24 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.355 0.598 . . . . 0.0 110.157 175.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.9 m -86.74 148.94 47.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.492 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.56 4.23 0.88 Allowed 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.246 2.63 . . . . 0.0 114.435 -170.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 45' ' ' CYS . 14.8 m-70 -109.86 -27.57 9.21 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.149 -0.344 . . . . 0.0 111.695 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 44.0 mtmt 49.62 41.63 21.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.043 0.449 . . . . 0.0 110.757 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -69.31 -21.9 63.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.311 -171.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.78 -46.56 30.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.327 178.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.9 p -72.05 -45.31 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.119 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -54.34 -39.57 67.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.812 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -63.86 -42.71 97.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.269 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.75 -42.02 92.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.49 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.2 t60 -64.92 -27.7 69.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.036 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.47 -44.64 11.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -98.07 -31.95 11.87 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.55 35.47 13.87 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.797 -174.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -103.21 98.73 12.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.481 ' HA ' ' HD2' ' A' ' 79' ' ' TYR . 97.7 Cg_endo -84.05 7.14 5.36 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.977 2.451 . . . . 0.0 115.077 -166.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 58.3 mt -129.7 124.91 60.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-O 121.396 0.617 . . . . 0.0 112.019 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 35' ' ' ARG . 38.6 pt -126.33 141.31 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.956 . . . . 0.0 109.935 175.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 36' ' ' ILE . 37.1 tt0 -103.05 143.87 32.03 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.162 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 71' ' ' PRO . . . -67.52 104.71 1.19 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.644 177.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -93.63 -31.26 14.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.529 0.204 . . . . 0.0 111.051 -175.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.561 ' OD1' ' HD3' ' A' ' 71' ' ' PRO . 1.9 p-10 -79.28 -34.63 0.94 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.907 178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.561 ' HD3' ' OD1' ' A' ' 70' ' ' ASP . 33.8 Cg_endo -99.01 109.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.357 2.038 . . . . 0.0 112.084 172.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -70.76 34.19 0.24 Allowed 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 123.323 2.682 . . . . 0.0 113.056 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.483 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.8 mt-10 -78.91 -29.21 44.13 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.336 0.588 . . . . 0.0 109.789 178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 84.86 76.8 1.19 Allowed Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.15 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.483 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 57.3 p-90 -152.08 158.62 43.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 177.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -131.6 145.12 16.8 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.926 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -109.23 132.32 54.24 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 4.3 t -112.11 110.29 20.48 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.481 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 74.8 m-85 -52.21 -60.13 3.58 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 81' ' ' ASP . 19.0 m -66.99 -20.53 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.564 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -90.57 -31.9 16.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.7 0.286 . . . . 0.0 110.326 -179.148 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 68.81 20.84 7.91 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.778 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' HB ' HG21 ' A' ' 2' ' ' THR . 33.4 m -113.73 145.92 18.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.903 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.0 ttp -110.5 107.96 17.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.56 176.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.496 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.0 p90 -103.28 167.59 9.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 -175.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -87.29 132.41 33.93 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.098 0.475 . . . . 0.0 111.448 -175.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 44.0 mt -126.7 27.06 6.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -65.98 -15.26 62.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.604 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -103.48 -5.86 22.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.514 0.197 . . . . 0.0 111.28 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -132.64 8.48 4.2 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.623 -176.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 25.9 ptm -60.24 145.07 48.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.299 0.571 . . . . 0.0 112.17 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 5.9 m -71.42 132.74 85.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.299 -176.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 92' ' ' THR . 19.5 Cg_exo -66.55 117.45 4.74 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 122.658 2.239 . . . . 0.0 111.58 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -61.84 141.76 57.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -90.45 -1.09 57.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.54 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.17 179.15 42.88 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.161 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.92 115.7 3.84 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.253 2.635 . . . . 0.0 111.77 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.8 mt -82.94 127.88 67.81 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 113.47 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.685 2.256 . . . . 0.0 111.733 176.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -91.89 106.65 18.63 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.31 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -84.41 -29.05 26.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.401 177.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.178 -179.313 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.767 0.317 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.0 p -115.02 -174.9 2.58 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.471 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 52.9 tpp -85.04 -38.61 18.98 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.483 . . . . 0.0 110.233 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.61 -147.72 18.32 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.743 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.8 p -166.8 173.71 9.26 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 6' ' ' ARG . 16.0 ptt-85 -56.46 -29.49 61.77 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.852 0.358 . . . . 0.0 111.88 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -64.1 -24.61 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.515 178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -62.2 -28.25 44.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.76 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.11 0.85 8.53 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.703 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.89 7.45 13.13 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.099 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 8' ' ' VAL . 32.1 pt -101.58 146.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 117.225 0.513 . . . . 0.0 111.134 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 13.5 ptm180 -132.54 172.49 12.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.83 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -80.36 99.63 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.309 0.576 . . . . 0.0 109.517 176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG22 ' H ' ' A' ' 14' ' ' VAL . 6.9 m -91.14 157.28 2.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.236 -171.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 7.2 m -83.17 123.89 76.84 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.241 179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 31.9 Cg_exo -61.8 119.21 6.22 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.678 2.252 . . . . 0.0 112.107 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 t -75.77 -28.43 58.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.9 162.44 35.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.963 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD22 ' HA3' ' A' ' 96' ' ' GLY . 86.9 mt -72.77 -36.8 67.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.445 0.64 . . . . 0.0 109.572 177.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.567 ' HA2' HD13 ' A' ' 34' ' ' LEU . . . -147.89 -128.23 1.77 Allowed Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.335 177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.7 t -88.54 105.07 17.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -38.65 84.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.09 -172.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 44.0 tt0 -67.82 -46.01 73.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.99 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 29' ' ' SER . 83.2 m -58.61 -33.54 70.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.938 0.399 . . . . 0.0 110.895 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.0 mt -70.01 -15.89 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 17.1 ptmt -77.69 -22.43 50.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 -178.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG23 ' HG3' ' A' ' 26' ' ' LYS . 26.6 pt -123.23 1.04 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.597 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.19 37.84 54.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.279 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 36.8 t -88.49 129.7 48.23 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.651 0.262 . . . . 0.0 110.425 -178.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -76.43 139.39 20.67 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.522 2.148 . . . . 0.0 112.221 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 34' ' ' LEU . 15.0 p90 -107.97 174.38 5.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.138 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.626 ' HB ' ' OD1' ' A' ' 48' ' ' ASP . 40.2 t -104.68 -59.04 3.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 177.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -134.35 157.81 45.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.68 177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD13 ' HA2' ' A' ' 20' ' ' GLY . 91.7 mt -128.04 146.99 50.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.812 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.751 ' CZ ' ' HA ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -135.4 134.34 39.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.138 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.432 HG23 ' HB3' ' A' ' 67' ' ' GLU . 13.7 tt -97.61 122.15 48.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.862 0.839 . . . . 0.0 109.322 175.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.5 t -76.1 109.19 9.56 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.144 -177.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -70.1 6.41 1.28 Allowed 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.041 0.756 . . . . 0.0 113.041 -170.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 m -102.07 -33.86 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.484 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.5 p -130.53 -17.64 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.624 -0.431 . . . . 0.0 111.841 -173.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 93.99 9.1 59.88 Favored Glycine 0 C--N 1.333 0.408 0 C-N-CA 120.419 -0.896 . . . . 0.0 113.507 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -88.21 127.53 35.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.259 -0.553 . . . . 0.0 109.889 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 36.3 t -95.19 136.51 26.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.78 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.51 161.99 27.33 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.932 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.487 ' HA ' HD23 ' A' ' 34' ' ' LEU . 28.3 p -76.14 145.2 40.11 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 54' ' ' ALA . 74.1 m -72.73 -178.78 2.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.847 0.356 . . . . 0.0 111.354 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.21 -32.88 73.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.98 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.626 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 1.0 OUTLIER -56.82 -32.02 65.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.822 176.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' HB2' ' A' ' 45' ' ' CYS . 15.3 m -86.02 136.61 36.0 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.142 -179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -56.45 -26.0 60.89 Favored 'Trans proline' 0 N--CA 1.475 0.438 0 C-N-CA 123.482 2.788 . . . . 0.0 114.302 -171.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -80.13 -14.06 58.78 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.27 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.0 mttm 37.59 54.68 1.47 Allowed 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -76.18 -16.0 59.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.141 -0.349 . . . . 0.0 111.321 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.751 ' HA ' ' CZ ' ' A' ' 35' ' ' ARG . . . -69.18 -47.5 64.73 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.283 178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 p -76.08 -49.81 16.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.572 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -62.39 -36.92 83.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.64 -176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -63.33 -38.03 89.57 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.781 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -62.49 -44.84 95.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 110.345 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -70.72 -27.53 64.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.712 -178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.29 -43.36 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.183 -177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 21.3 p -103.56 -37.1 7.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 -175.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.71 44.71 4.79 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.362 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -114.91 99.07 51.6 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.492 ' O ' ' HA ' ' A' ' 78' ' ' CYS . 88.4 Cg_endo -83.79 0.82 9.19 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 122.963 2.442 . . . . 0.0 115.026 -167.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 11' ' ' ILE . 42.5 mt -125.66 130.54 72.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 121.57 0.7 . . . . 0.0 112.058 -178.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG21 ' HE ' ' A' ' 35' ' ' ARG . 42.9 pt -131.59 155.26 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.196 177.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.576 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 38.7 tt0 -117.21 142.68 46.74 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.97 102.45 0.85 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.844 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.535 ' OH ' ' HA ' ' A' ' 94' ' ' HIS . 4.2 t80 -88.18 -30.85 19.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.331 0.586 . . . . 0.0 110.434 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.522 ' HB3' ' H ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -79.32 -54.93 0.94 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.36 176.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' ' 70' ' ' ASP . 41.7 Cg_endo -68.43 119.8 6.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.605 1.537 . . . . 0.0 111.899 178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.68 36.99 0.36 Allowed 'Trans proline' 0 CA--C 1.532 0.378 0 C-N-CA 123.166 2.577 . . . . 0.0 113.0 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 75' ' ' TRP . 31.7 mt-10 -98.83 -37.56 9.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.416 178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.55 75.47 0.89 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.022 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.461 ' CD1' ' HB2' ' A' ' 73' ' ' GLU . 41.0 p-90 -139.38 159.76 41.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.754 0.312 . . . . 0.0 110.637 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.65 141.11 14.81 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.283 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -112.84 135.0 54.09 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.536 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 5.8 t -112.28 111.75 22.84 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HD2' ' HA ' ' A' ' 64' ' ' PRO . 78.3 m-85 -52.74 -63.05 1.27 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -170.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.64 -21.55 27.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -85.29 -37.8 19.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.025 0.44 . . . . 0.0 110.121 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 66.65 22.05 10.52 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.638 -176.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.406 HG22 ' CB ' ' A' ' 81' ' ' ASP . 32.8 m -105.76 137.84 33.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.07 177.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 50.0 ttm -107.51 129.63 54.94 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.806 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -129.68 151.06 50.69 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -81.77 143.54 31.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.165 0.507 . . . . 0.0 110.643 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.7 mt -126.46 24.04 6.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.656 -177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -53.93 -31.0 48.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -81.53 -20.8 39.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.887 0.375 . . . . 0.0 111.752 -178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 90' ' ' ARG . 50.7 mtt180 -118.46 12.02 13.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.098 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.576 ' HA ' ' OE2' ' A' ' 67' ' ' GLU . 24.9 ptm -65.13 142.71 58.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.241 0.543 . . . . 0.0 112.299 -168.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.415 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 4.2 m -84.47 120.4 74.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.401 178.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 92' ' ' THR . 29.2 Cg_endo -63.91 134.76 44.78 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.384 2.056 . . . . 0.0 111.449 176.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.535 ' HA ' ' OH ' ' A' ' 69' ' ' TYR . 9.3 p80 -72.78 125.09 26.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -86.61 13.93 7.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.683 -172.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.495 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -165.92 168.19 39.58 Favored Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.803 177.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.53 93.14 1.09 Allowed 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.001 2.467 . . . . 0.0 111.07 175.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 48.1 mt -75.85 118.11 68.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.006 -175.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 98' ' ' ILE . 13.0 Cg_exo -69.65 104.91 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.938 2.425 . . . . 0.0 112.737 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' HD2' HG23 ' A' ' 102' ' ' VAL . 12.3 tpp85 -80.52 118.34 22.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -92.38 -29.7 16.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.496 -177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.415 HG23 ' HD2' ' A' ' 100' ' ' ARG . 7.4 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.371 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.793 0.33 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.492 HG23 ' HB3' ' A' ' 85' ' ' PHE . 10.4 t -135.89 -177.85 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.3 mtp -83.44 -21.26 32.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.994 0.426 . . . . 0.0 110.438 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.8 -154.87 21.51 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.472 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 7' ' ' HIS . 28.6 p -149.04 168.52 22.92 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.41 -23.13 64.13 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.52 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 31.4 m170 -58.33 -25.62 62.15 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 174.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.85 -27.33 40.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.042 -176.598 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -6.22 35.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.717 0.294 . . . . 0.0 111.608 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -104.05 -1.08 45.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.737 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.68 HG12 ' O ' ' A' ' 8' ' ' VAL . 35.0 pt -101.28 152.87 5.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.686 0.279 . . . . 0.0 110.541 178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 -175.71 3.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.178 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.2 m -81.82 101.46 10.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.966 0.412 . . . . 0.0 110.095 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 37' ' ' CYS . 27.5 m -95.84 165.16 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -171.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.9 m -121.34 127.99 25.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.881 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HG2' ' HB3' ' A' ' 95' ' ' ASN . 57.8 Cg_endo -72.74 142.34 35.5 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.583 2.189 . . . . 0.0 112.48 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.3 t -111.42 8.21 21.12 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.13 145.82 27.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.37 -178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD22 ' HA3' ' A' ' 96' ' ' GLY . 83.0 mt -69.23 -49.3 57.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.081 0.467 . . . . 0.0 110.435 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.32 -142.04 4.94 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.336 178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 45' ' ' CYS . 53.9 t -74.48 105.12 5.47 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.351 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -46.4 -44.92 17.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.797 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.1 tp10 -61.19 -51.18 70.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.244 0.545 . . . . 0.0 110.648 -178.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 29' ' ' SER . 61.2 m -66.22 -33.56 76.03 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.4 mt -66.0 -21.56 66.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HG3' HG23 ' A' ' 27' ' ' ILE . 16.8 ptmt -72.97 -23.9 60.72 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.166 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.576 HG23 ' HG3' ' A' ' 26' ' ' LYS . 23.9 pt -123.71 -10.46 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -177.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.44 52.3 3.8 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.449 -0.881 . . . . 0.0 111.266 -175.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 21.6 t -105.87 143.07 26.14 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.21 162.67 39.99 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.528 2.152 . . . . 0.0 112.542 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 10.1 p90 -145.13 163.78 33.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.881 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD2' ' A' ' 33' ' ' HIS . 47.9 t -89.15 -68.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.273 178.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.641 ' CD2' HG12 ' A' ' 32' ' ' VAL . 99.1 m-70 -139.77 166.89 23.4 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 176.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' H ' ' HB2' ' A' ' 70' ' ' ASP . 2.6 mm? -111.69 147.16 36.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 0.0 111.571 -174.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 66' ' ' ILE . 99.6 mtt180 -125.63 135.76 52.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.766 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.8 tt -125.9 138.78 53.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' H ' ' A' ' 39' ' ' THR . 72.9 m -65.49 147.47 53.37 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.218 175.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.593 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 8.3 mmm180 -88.26 6.49 36.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.445 0.64 . . . . 0.0 109.492 168.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.459 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -102.02 -67.77 0.85 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.458 -179.32 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.1 p -97.31 -34.31 11.12 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -173.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.43 10.9 55.28 Favored Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.236 -0.983 . . . . 0.0 113.422 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -82.46 130.53 35.13 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.72 144.83 8.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.037 0.446 . . . . 0.0 111.6 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.14 171.75 30.06 Favored Glycine 0 N--CA 1.449 -0.435 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 31.5 p -89.78 155.75 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 117.345 0.573 . . . . 0.0 110.292 178.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 35' ' ' ARG . 78.3 m -58.7 160.17 5.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.766 175.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -76.41 -5.0 45.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 110.673 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -65.04 -44.91 87.5 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m -71.7 131.22 86.23 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.79 176.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -42.75 -39.2 7.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 124.311 3.341 . . . . 0.0 114.71 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.19 -42.2 76.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.564 0.221 . . . . 0.0 111.509 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt 48.14 53.03 12.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.392 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -69.14 -27.99 66.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.207 -174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.28 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.405 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -72.26 -40.47 67.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.182 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -58.23 -47.73 82.6 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.155 0.502 . . . . 0.0 109.786 175.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -64.48 -36.2 83.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.024 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -58.21 -46.37 85.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.591 0.234 . . . . 0.0 110.376 176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -69.46 -27.47 65.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.79 0.329 . . . . 0.0 111.091 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -47.28 26.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.127 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.9 p -108.6 -6.95 15.8 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -173.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.39 54.52 31.57 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.382 -178.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -118.22 91.89 41.55 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -78.5 -15.58 13.85 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 123.012 2.475 . . . . 0.0 113.911 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 7' ' ' HIS . 63.9 mt -105.59 119.96 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.745 0.783 . . . . 0.0 111.525 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.452 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 24.6 pt -121.94 168.22 14.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 114.464 -1.243 . . . . 0.0 110.03 178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 91' ' ' MET . 41.3 tt0 -135.16 151.59 50.81 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -66.99 101.31 0.64 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.884 178.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.588 ' CE1' ' HA ' ' A' ' 94' ' ' HIS . 52.0 t80 -80.72 -31.54 36.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.224 0.535 . . . . 0.0 110.917 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.567 ' HB3' ' HD3' ' A' ' 71' ' ' PRO . 18.1 t70 -78.87 -51.35 1.37 Allowed Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.47 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 70' ' ' ASP . 4.2 Cg_exo -78.02 119.84 4.82 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.117 1.878 . . . . 0.0 111.793 177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 71' ' ' PRO . 6.1 Cg_exo -74.71 37.03 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.303 2.669 . . . . 0.0 112.964 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -90.49 -50.12 6.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.221 0.534 . . . . 0.0 110.661 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.37 69.83 1.02 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.062 -176.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -133.64 146.48 50.93 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -115.33 151.71 18.34 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.67 -176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.442 ' HB3' HG13 ' A' ' 66' ' ' ILE . 61.0 t-105 -125.39 134.08 52.28 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 81' ' ' ASP . 11.1 t -109.48 102.86 11.7 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -47.76 -53.57 14.9 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.479 HG23 ' OD1' ' A' ' 81' ' ' ASP . 20.2 m -68.09 -21.3 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 78' ' ' CYS . 8.1 m-20 -96.31 -31.63 12.8 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.601 0.238 . . . . 0.0 110.709 -177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 69.57 23.05 6.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.807 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.62 145.07 18.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 47.7 ttm -108.01 130.35 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.648 176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' HB3' HG23 ' A' ' 2' ' ' THR . 24.4 p90 -130.62 161.3 31.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.877 0.37 . . . . 0.0 111.434 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -81.01 128.0 33.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.522 -177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.6 mt -128.26 18.23 6.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.298 177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.6 t -61.65 -24.12 66.51 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -171.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -79.69 -11.23 59.86 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.002 0.43 . . . . 0.0 110.957 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -127.6 4.99 6.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 -176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.509 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 24.8 ptm -52.9 141.84 20.84 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.954 0.784 . . . . 0.0 113.059 -166.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 32.0 m -102.2 99.07 11.6 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.129 -0.942 . . . . 0.0 109.992 175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 91' ' ' MET . 15.2 Cg_exo -69.02 158.04 59.48 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.674 2.25 . . . . 0.0 111.457 179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.588 ' HA ' ' CE1' ' A' ' 69' ' ' TYR . 2.6 p-80 -74.95 136.17 41.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.205 0.526 . . . . 0.0 110.625 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.417 ' HB3' ' HG2' ' A' ' 16' ' ' PRO . 35.3 p-10 -72.81 -16.17 61.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.068 -172.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.509 ' HA3' HD22 ' A' ' 19' ' ' LEU . . . -146.49 164.95 28.38 Favored Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.023 178.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.12 113.58 2.46 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.636 2.224 . . . . 0.0 111.505 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 49.7 mt -80.88 129.32 68.3 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.888 -176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.12 123.97 14.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.803 2.335 . . . . 0.0 111.906 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -90.67 97.82 11.41 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.751 -176.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -82.16 -47.55 12.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.909 0.385 . . . . 0.0 110.057 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.228 -179.757 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_