data_2kck_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 2kck _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 ' 6' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.482 0.84 0 CA-C-O 120.822 0.259 . . . . 1.0 112.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -75.24 -46.57 32.93 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.167 -0.958 . . . . 1.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 40.2 mp0 -74.0 -33.7 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 1.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.429 ' C ' ' H ' ' A' ' 11' ' ' LEU . 27.6 m-85 -53.65 -22.4 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.442 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLU . 1.3 p90 -48.94 -14.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.549 0.69 . . . . 1.0 110.464 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 9' ' ' TYR . 2.1 pp -48.03 -20.27 0.33 Allowed 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 121.447 -0.783 . . . . 1.0 110.51 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' VAL . 13.6 tm-20 -57.55 -54.31 48.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.827 1.329 . . . . 1.0 110.8 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -33.91 -32.59 0.02 OUTLIER Glycine 0 N--CA 1.475 1.245 0 O-C-N 124.735 1.272 . . . . 1.0 111.151 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . 39.1 t -76.65 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 122.458 -0.436 . . . . 1.0 110.582 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 19' ' ' ALA . 86.2 mt -43.94 -65.66 0.48 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 119.649 -0.215 . . . . 1.0 110.432 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.09 -56.08 6.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.571 -0.706 . . . . 1.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.77 -71.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 1.0 110.502 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -68.58 110.02 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 1.0 110.343 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 65.03 2.74 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' GLU . 40.7 t-20 -140.77 63.34 1.46 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.277 0.56 . . . . 1.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -41.4 -34.23 0.5 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.097 -0.956 . . . . 1.0 110.176 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -45.77 91.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.581 0.551 . . . . 1.0 110.049 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ASN . 83.9 tt0 -56.41 -45.78 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.179 -0.326 . . . . 1.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 81.6 p -50.3 -23.02 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.532 . . . . 1.0 110.56 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 8.7 tt -60.78 -41.93 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.251 0.548 . . . . 1.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 63.0 m-20 -58.54 -47.66 83.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.116 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.6 -43.07 77.25 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.092 0.87 . . . . 1.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -53.64 -38.51 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.608 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.55 -45.6 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.91 63.0 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.733 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 HD11 ' A' ' 33' ' ' ILE . 51.8 mt -64.5 -41.03 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 123.691 0.619 . . . . 1.0 110.557 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -53.96 -33.19 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.061 -0.399 . . . . 1.0 110.537 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.72 -49.26 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -172.35 112.83 0.38 Allowed Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.854 -0.593 . . . . 1.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.46 124.06 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 121.13 1.22 . . . . 1.0 111.672 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? 176.31 -8.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -96.67 108.42 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.201 0.524 . . . . 1.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' TRP . 38.3 t -67.2 -46.65 73.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.521 . . . . 1.0 111.133 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -47.73 -27.99 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.281 0.562 . . . . 1.0 110.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.06 -33.73 57.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.321 -0.862 . . . . 1.0 110.22 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' SER . 35.4 m95 -73.18 -35.36 66.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.024 -0.361 . . . . 1.0 110.024 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -57.66 -39.25 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.462 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.961 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -58.23 -44.49 88.24 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.884 1.365 . . . . 1.0 110.645 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.54 -49.43 60.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -58.77 -34.55 71.56 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.398 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.19 54.02 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.46 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.716 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.28 -50.72 72.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.389 -0.524 . . . . 1.0 110.233 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.97 -27.91 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.268 -0.27 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -77.09 11.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.5 ' C ' ' HE ' ' A' ' 55' ' ' ARG . 4.1 tp10 76.07 10.62 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.976 0.511 . . . . 1.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.5 ' HE ' ' C ' ' A' ' 54' ' ' GLU . 5.0 mmp_? -97.72 68.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 2.4 m-85 -60.87 -41.21 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.951 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.69 -50.4 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.729 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.601 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.92 75.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.501 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -60.01 -38.35 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.9 -34.55 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.786 -0.571 . . . . 1.0 110.467 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.3 m -71.77 -45.27 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 1.0 110.716 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 1.8 t80 -57.87 -46.91 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ASN . 25.4 t-20 -66.75 -34.6 78.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.342 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.367 1.042 . . . . 1.0 110.425 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.6 -30.67 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.629 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 11.2 mt -89.39 -24.16 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 110.18 -0.304 . . . . 1.0 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.4 t-20 -80.63 -65.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.364 -0.21 . . . . 1.0 110.847 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.09 -46.43 94.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.319 1.012 . . . . 1.0 110.425 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 72' ' ' ASP . 58.3 mt -107.74 130.32 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 121.907 0.86 . . . . 1.0 109.671 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 57.5 mp0 -77.0 23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.532 -0.73 . . . . 1.0 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.9 t0 -76.87 46.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.767 -0.583 . . . . 1.0 110.216 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -77.49 77.82 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.229 0.537 . . . . 1.0 110.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' ' NZ ' ' A' ' 76' ' ' LYS . 73.6 t80 -168.11 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.36 107.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.132 0.968 . . . . 1.0 110.344 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 60.8 mttp -59.99 -42.97 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.843 -0.536 . . . . 1.0 110.629 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -59.41 -40.5 86.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 -50.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.523 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CH2' ' OH ' ' A' ' 63' ' ' TYR . 59.9 m95 -57.56 -43.32 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 1.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.38 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.268 -0.27 . . . . 1.0 110.75 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.73 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.571 ' NZ ' ' CD1' ' A' ' 63' ' ' TYR . 33.3 tttp -57.86 -45.15 86.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.162 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.82 53.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.514 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -56.91 -35.18 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.138 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.32 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 110.74 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 88' ' ' TYR . 10.0 mp -66.09 -35.56 80.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -9.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.218 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 86' ' ' LEU . 97.8 m-85 -144.52 62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.099 0.476 . . . . 1.0 110.47 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -129.73 141.23 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.452 0.644 . . . . 1.0 110.345 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 58.0 mp0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.44 0.638 . . . . 1.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.5 -0.185 . . . . 1.0 110.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.45 -49.88 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 1.0 110.523 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.84 -34.87 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.46 -47.41 73.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 1.0 110.609 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.1 mt -58.68 -41.0 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.22 70.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.27 -44.92 76.09 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.989 0.805 . . . . 1.0 110.624 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.26 79.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 1.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -62.67 -41.42 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.192 0.52 . . . . 1.0 110.734 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.16 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -87.1 18.12 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.674 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.763 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 53.9 Cg_exo . . . . . 0 N--CA 1.496 1.673 0 CA-C-O 121.799 0.666 . . . . 1.0 111.972 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 55.1 tt0 92.6 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.213 -0.929 . . . . 1.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 6' ' ' PRO . 31.6 mp0 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 1.0 110.652 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -57.59 -17.86 16.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 1.0 110.277 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' GLU . 2.2 p90 -50.3 -15.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.432 0.634 . . . . 1.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.84 -20.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.486 -0.759 . . . . 1.0 110.531 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 14.0 tm-20 -60.86 -53.9 51.69 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.8 1.313 . . . . 1.0 111.112 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.5 -31.57 0.03 OUTLIER Glycine 0 N--CA 1.47 0.924 0 O-C-N 124.721 1.263 . . . . 1.0 110.823 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLU . 28.8 t -74.67 -54.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.489 -0.418 . . . . 1.0 110.755 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -42.31 -67.5 0.26 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 122.401 -0.187 . . . . 1.0 110.509 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 12' ' ' GLU . 2.8 pt20 -49.82 -52.34 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' H ' ' HG3' ' A' ' 16' ' ' GLN . 2.9 m-85 -53.51 -65.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.634 -0.666 . . . . 1.0 110.872 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.55 -70.69 0.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.032 -0.358 . . . . 1.0 110.032 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' GLN . . . -103.41 -120.99 0.19 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.447 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.82 -93.33 0.39 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 54.47 38.49 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.624 -0.339 . . . . 1.0 110.221 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -64.86 -53.95 38.61 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.624 0.578 . . . . 1.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -66.52 -44.1 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 83.2 tt0 -63.46 -43.64 96.79 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.179 -0.325 . . . . 1.0 110.763 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -53.07 -24.93 11.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 1.0 110.569 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -45.85 -28.72 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 121.983 -0.448 . . . . 1.0 110.188 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' OD1' ' O ' ' A' ' 24' ' ' GLU . 34.5 p-10 -68.28 -48.44 64.98 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.68 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 4.4 mm? -54.54 -54.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.891 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.87 -45.43 92.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.335 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -53.55 -37.96 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.65 -44.42 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.8 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.908 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.69 -32.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.386 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.49 -32.68 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.081 -0.387 . . . . 1.0 110.593 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.91 -38.57 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.881 0.738 . . . . 1.0 110.52 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -163.05 96.85 1.07 Allowed Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -82.05 55.78 5.57 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 121.11 1.206 . . . . 1.0 112.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -130.88 -14.44 3.52 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.676 0.39 . . . . 1.0 110.311 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.96 93.25 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 1.0 110.474 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -53.48 -38.42 63.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.715 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.65 -33.39 22.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 1.0 110.208 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -78.12 -38.58 43.58 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.51 -0.743 . . . . 1.0 110.415 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.86 -36.44 70.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.224 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.43 -40.55 74.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.328 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -62.83 -41.44 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 1.0 110.712 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -52.46 -48.7 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 124.939 1.399 . . . . 1.0 110.842 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.51 -48.65 48.48 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.044 -0.823 . . . . 1.0 111.044 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -37.7 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.506 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.23 66.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.306 -0.557 . . . . 1.0 110.687 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.89 -42.15 97.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.33 -49.61 74.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.58 -29.82 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.037 -0.265 . . . . 1.0 110.67 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 7.4 mp -80.48 9.6 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.642 0.588 . . . . 1.0 110.618 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 58.2 mm-40 73.68 25.45 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.439 . . . . 1.0 110.529 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -108.16 65.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 1.0 110.21 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.55 -38.26 83.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.215 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.43 -52.38 58.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.98 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.2 mp0 -68.41 -38.54 81.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.07 -39.16 63.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.439 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.59 -33.41 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.021 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.27 -38.26 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.874 -0.516 . . . . 1.0 110.602 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -65.84 -51.17 61.11 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.478 0.486 . . . . 1.0 110.537 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.27 -44.83 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -40.47 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.517 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 28.6 t80 -60.39 -45.77 92.36 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.443 1.089 . . . . 1.0 110.176 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.05 -44.29 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.455 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -68.6 -38.54 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 1.0 110.187 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -74.79 -69.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.17 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.97 -47.04 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 124.361 1.038 . . . . 1.0 110.659 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.584 ' C ' ' H ' ' A' ' 72' ' ' ASP . 35.3 mt -105.24 117.04 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.778 0.799 . . . . 1.0 109.656 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.13 26.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.497 -0.752 . . . . 1.0 110.529 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 70' ' ' ILE . 5.9 t70 -52.4 -53.29 47.04 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.691 -0.631 . . . . 1.0 110.539 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' ASP . 68.3 tt0 30.45 49.51 0.07 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.327 0.584 . . . . 1.0 111.025 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 66.0 t80 -164.44 22.95 0.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.358 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -101.48 106.25 17.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 122.312 1.053 . . . . 1.0 109.776 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.74 -37.1 82.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.69 -46.0 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.538 ' CD2' ' NH1' ' A' ' 102' ' ' ARG . 41.2 m0 -59.82 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.23 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.15 87.56 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.201 -0.312 . . . . 1.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.05 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.463 0.477 . . . . 1.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.07 -43.44 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.55 52.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -50.58 -37.11 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.181 0.515 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.89 -28.41 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -67.41 -13.62 62.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.945 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.19 60.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -128.81 144.6 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.294 0.568 . . . . 1.0 110.448 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.165 0.507 . . . . 1.0 110.471 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.325 -0.25 . . . . 1.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.93 -51.69 55.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.403 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -25.39 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.703 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -67.09 -49.76 63.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.779 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 1.7 mp -58.39 -44.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.089 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.82 65.6 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.87 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.016 0.822 . . . . 1.0 110.457 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.86 -46.36 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.824 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 79' ' ' TRP . 71.3 ttp85 -59.73 -41.35 90.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.832 0.349 . . . . 1.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.76 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.131 -0.355 . . . . 1.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.97 -47.79 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.016 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.33 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 CA-C-O 121.161 0.4 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.3 -20.89 66.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.227 -0.921 . . . . 1.0 110.346 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.75 -34.43 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.349 0.406 . . . . 1.0 110.754 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -57.62 -14.92 6.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.647 0.26 . . . . 1.0 110.386 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.6 p90 -54.54 -16.69 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 1.0 110.245 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.0 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.347 -0.845 . . . . 1.0 111.112 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' TYR . 25.5 tp10 -53.9 -50.79 65.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.224 -1.353 . . . . 1.0 110.736 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -35.51 -41.7 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 O-C-N 124.704 1.253 . . . . 1.0 111.0 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.84 -55.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 122.559 -0.377 . . . . 1.0 110.527 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' ALA . 51.9 mt -42.87 -68.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -44.09 -53.91 5.99 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -50.97 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.679 -0.638 . . . . 1.0 111.239 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.67 -73.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.985 0.421 . . . . 1.0 110.645 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -74.29 102.95 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.02 58.43 0.79 Allowed Glycine 0 N--CA 1.459 0.175 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -113.0 60.95 0.64 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.639 -0.33 . . . . 1.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' O ' ' OG ' ' A' ' 25' ' ' SER . 58.3 m-85 -45.9 -40.47 10.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -56.58 -48.92 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.556 0.535 . . . . 1.0 110.216 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.15 -40.62 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.913 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 24.9 p -49.93 -33.43 17.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.509 -0.477 . . . . 1.0 110.671 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.6 mp -58.16 -40.81 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.04 -49.14 78.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.32 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.8 mm? -64.58 -46.17 83.89 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 124.104 0.878 . . . . 1.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.87 -45.64 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.297 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -51.76 -39.84 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.595 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.85 -43.79 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.86 -54.58 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.925 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mt -54.65 -35.81 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.06 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.18 -33.37 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.043 -0.411 . . . . 1.0 110.364 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -43.24 92.71 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.794 0.684 . . . . 1.0 110.677 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.72 93.56 0.46 Allowed Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -87.67 103.42 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.273 1.316 . . . . 1.0 111.827 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -165.59 45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.14 -0.35 . . . . 1.0 110.195 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.562 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -157.6 99.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 1.0 110.412 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -48.52 -24.98 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 122.361 -0.212 . . . . 1.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -50.87 -42.42 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.024 0.44 . . . . 1.0 110.372 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 2.3 p90 -81.73 -37.52 27.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.315 -0.865 . . . . 1.0 110.033 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.065 -178.578 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.959 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtp -61.57 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.722 -0.791 . . . . 1.0 110.516 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HZ1' ' CB ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -50.69 -49.02 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.945 1.403 . . . . 1.0 111.049 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.73 49.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.171 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -51.04 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.751 -0.379 . . . . 1.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.08 -43.08 99.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.669 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -60.08 -50.11 75.0 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.471 -0.491 . . . . 1.0 110.445 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.52 -29.91 69.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.19 -0.319 . . . . 1.0 110.65 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 52.2 mt -76.25 3.73 10.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.556 0.535 . . . . 1.0 110.761 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 35.4 tt0 79.93 26.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.797 0.439 . . . . 1.0 110.256 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -111.64 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.41 . . . . 1.0 110.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -58.31 -40.44 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.238 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.5 -50.84 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.01 -40.78 91.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.543 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.92 -37.24 63.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.5 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.01 -31.12 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.05 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.77 -37.01 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.697 -0.627 . . . . 1.0 110.325 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.31 -51.71 54.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.499 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.07 -43.65 97.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.86 -41.18 90.9 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.447 -0.501 . . . . 1.0 110.621 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.18 -41.58 88.79 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.452 1.095 . . . . 1.0 110.084 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 70' ' ' ILE . 76.2 t -68.8 -45.64 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.649 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.75 -39.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.107 0.48 . . . . 1.0 109.994 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.48 -65.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.28 -46.23 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 124.344 1.028 . . . . 1.0 110.268 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 66' ' ' VAL . 45.6 mt -112.88 127.87 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 1.0 109.808 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.58 18.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.512 -0.743 . . . . 1.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 70' ' ' ILE . 86.3 m-20 -78.48 40.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.769 -0.582 . . . . 1.0 110.27 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' NE1' ' A' ' 79' ' ' TRP . 15.7 pt-20 -58.68 -24.46 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.715 -0.221 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -54.44 -29.59 49.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.222 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -46.51 106.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.065 0.936 . . . . 1.0 110.54 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.41 -33.65 76.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.76 -43.72 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.683 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -44.95 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.367 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.52 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 45.2 m95 -64.85 -49.88 68.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.38 83.39 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.225 -0.297 . . . . 1.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.65 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.786 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.63 -36.17 75.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.37 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.24 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.979 -0.288 . . . . 1.0 110.635 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.06 -41.22 59.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.31 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.21 85.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.03 0.443 . . . . 1.0 110.655 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.0 -32.12 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -38.58 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.966 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -112.01 75.18 0.9 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.193 0.521 . . . . 1.0 110.491 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CG1' ' N ' ' A' ' 90' ' ' GLU . 14.4 tt -129.22 168.49 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 123.19 0.596 . . . . 1.0 110.759 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' ' CG1' ' A' ' 89' ' ' ILE . 68.7 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.104 0 N-CA-C 110.2 -0.296 . . . . 1.0 110.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -58.43 -52.33 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.395 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.07 79.3 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.99 -0.284 . . . . 1.0 110.895 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.12 -51.99 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.441 -0.504 . . . . 1.0 110.786 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.88 -40.74 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.76 -53.77 51.5 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.019 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -54.82 -43.51 73.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 124.007 0.817 . . . . 1.0 110.545 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.21 -48.63 64.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.78 -40.76 80.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 1.0 110.664 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.92 83.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -89.4 12.76 15.4 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.615 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.38 0.609 . . . . 1.0 109.783 -179.689 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 CA-C-O 121.26 0.442 . . . . 1.0 111.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.93 -45.39 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.166 -0.959 . . . . 1.0 109.989 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.796 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 15.1 pt-20 -54.94 -27.83 46.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.374 0.421 . . . . 1.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' LEU . 38.5 m-85 -48.48 -7.49 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 O-C-N 122.276 -0.265 . . . . 1.0 111.227 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -54.56 72.63 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.71 -0.619 . . . . 1.0 111.73 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 9' ' ' TYR . 3.5 pp -126.64 -37.89 2.12 Favored 'General case' 0 CA--C 1.482 -1.641 0 CA-C-O 122.871 1.32 . . . . 1.0 111.393 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLY . 58.2 mp0 -51.36 -48.61 62.44 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 112.222 -2.263 . . . . 1.0 109.937 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -30.71 -56.93 0.25 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.714 1.259 . . . . 1.0 111.197 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.8 -54.74 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.147 0.474 . . . . 1.0 110.595 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 19' ' ' ALA . 21.0 mt -43.44 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.442 -0.162 . . . . 1.0 110.814 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -43.38 -60.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.397 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -44.22 -62.57 1.11 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.588 -0.695 . . . . 1.0 110.823 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.08 -80.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.378 0.424 . . . . 1.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.588 ' O ' ' O ' ' A' ' 15' ' ' LEU . . . -104.48 131.72 51.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.428 0.632 . . . . 1.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ALA . . . -33.08 -71.12 0.11 Allowed Glycine 0 N--CA 1.473 1.114 0 O-C-N 121.843 -0.536 . . . . 1.0 112.129 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 49.94 32.68 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.571 -0.37 . . . . 1.0 110.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.26 -50.49 71.53 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.132 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 m -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.508 -0.769 . . . . 1.0 110.278 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -55.94 -36.13 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.245 -0.284 . . . . 1.0 110.737 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -63.87 -24.37 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 1.0 110.504 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 tp -57.94 -35.52 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.606 0.717 . . . . 1.0 110.495 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -65.99 -34.97 79.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.05 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -73.1 -47.62 42.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.88 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.56 -43.08 97.67 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.364 -0.534 . . . . 1.0 110.197 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -55.39 -36.83 66.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.659 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -71.92 -41.03 68.37 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.986 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.7 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.319 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.0 mt -66.28 -28.81 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.453 0.644 . . . . 1.0 110.274 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.98 -33.76 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.119 -0.363 . . . . 1.0 110.473 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.61 -47.76 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.799 0.687 . . . . 1.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -175.13 113.16 0.28 Allowed Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 118.621 -0.704 . . . . 1.0 110.634 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HB2' ' H ' ' A' ' 38' ' ' GLU . 58.6 Cg_endo -83.38 -145.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.088 1.192 . . . . 1.0 111.898 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 43.0 tt0 78.43 32.31 0.33 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.16 0.505 . . . . 1.0 110.714 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 21.2 mt-10 -148.18 90.07 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -49.07 -28.38 4.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.638 0.733 . . . . 1.0 111.141 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -39.56 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.968 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 2.1 p90 -78.2 -32.59 50.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.935 0.874 . . . . 1.0 110.211 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.589 ' CD1' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.48 -41.04 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.085 -0.961 . . . . 1.0 109.932 -177.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.12 -43.37 74.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.281 -0.872 . . . . 1.0 109.762 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.14 -46.31 84.67 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.779 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -52.6 -49.77 64.38 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.882 1.364 . . . . 1.0 110.297 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.01 -48.0 53.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 49.5 mtmt -59.38 -34.44 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.676 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.49 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.742 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.59 -38.91 82.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.383 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.14 -49.36 72.45 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 120.139 -0.625 . . . . 1.0 110.578 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.86 -30.5 67.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.781 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -79.67 11.65 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.551 0.532 . . . . 1.0 110.776 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 71.06 27.68 3.27 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.844 0.458 . . . . 1.0 110.546 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -111.56 64.49 0.62 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.441 0.639 . . . . 1.0 110.215 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -56.21 -38.67 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.119 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -51.05 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.993 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -65.34 -39.33 92.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.38 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.92 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.57 -41.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.47 -35.49 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.77 -0.581 . . . . 1.0 110.585 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.32 -53.42 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.4 0.438 . . . . 1.0 110.384 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.539 ' HH ' ' N ' ' A' ' 48' ' ' LYS . 28.7 m-85 -57.54 -42.86 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.18 -0.608 . . . . 1.0 110.646 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.03 -34.98 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.291 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.48 -42.72 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.33 1.019 . . . . 1.0 109.839 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.318 0.386 . . . . 1.0 110.729 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.59 -41.3 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -74.63 -70.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.4 t -47.81 -48.19 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 124.31 1.006 . . . . 1.0 110.739 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.654 ' C ' ' H ' ' A' ' 72' ' ' ASP . 76.7 mt -107.06 128.85 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.751 0.786 . . . . 1.0 109.727 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.36 25.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.451 -0.78 . . . . 1.0 110.989 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.654 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.2 t0 -46.33 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.776 -0.578 . . . . 1.0 110.564 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 38.49 39.29 0.3 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.991 0.424 . . . . 1.0 110.68 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -146.74 -45.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.573 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -43.8 117.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.456 1.122 . . . . 1.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -25.93 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.667 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.13 -46.67 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.676 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.46 -48.53 84.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.305 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -61.77 -49.61 75.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.204 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.01 83.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.208 -0.307 . . . . 1.0 110.543 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.93 81.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.02 -41.04 91.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.509 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.13 -51.88 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 1.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.39 -42.32 31.52 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.349 0.406 . . . . 1.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.22 94.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 1.0 110.555 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.08 -24.06 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -64.28 -17.78 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.628 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -141.72 72.0 1.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.2 tt -129.43 158.32 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.137 0.494 . . . . 1.0 110.444 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.333 0.587 . . . . 1.0 110.412 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 121.302 0.572 . . . . 1.0 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -70.23 -48.61 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.567 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.91 -22.87 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.99 -49.14 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.433 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 1.7 mp -57.81 -45.86 87.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.25 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.893 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.92 -45.65 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.001 0.813 . . . . 1.0 110.457 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.98 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 1.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -60.68 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.655 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.25 73.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 1.0 110.93 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -95.69 17.38 15.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.526 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 1.0 109.936 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 N--CA 1.489 1.214 0 CA-C-O 121.089 0.37 . . . . 1.0 112.227 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 76.4 mm-40 -66.68 -17.41 64.83 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.181 -0.949 . . . . 1.0 110.621 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -70.15 -37.05 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.072 0.463 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.68 -24.43 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 1.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.45 -16.75 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.584 -0.697 . . . . 1.0 110.434 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.2 pp -41.2 -23.03 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.441 -0.787 . . . . 1.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -58.35 -49.8 75.91 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 124.81 1.319 . . . . 1.0 110.668 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -37.4 -40.32 0.62 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.766 1.291 . . . . 1.0 110.925 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.85 -57.99 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.7 mt -43.31 -64.09 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.371 -0.233 . . . . 1.0 110.371 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 19' ' ' ALA . 76.4 mt-30 -50.3 -55.12 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.503 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -46.44 -60.23 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.615 -0.678 . . . . 1.0 110.831 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.62 -65.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.975 0.416 . . . . 1.0 110.628 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -98.91 -131.07 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.588 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.15 -94.17 0.92 Allowed Glycine 0 N--CA 1.475 1.244 0 N-CA-C 111.148 -0.781 . . . . 1.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 m120 55.94 34.84 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.625 -0.338 . . . . 1.0 110.172 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' O ' ' OG ' ' A' ' 25' ' ' SER . 97.0 m-85 -63.1 -52.19 63.63 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.629 0.581 . . . . 1.0 110.18 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -64.93 -42.77 94.4 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.7 0.625 . . . . 1.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.44 -43.57 98.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.107 -0.371 . . . . 1.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 41.5 p -53.4 -26.99 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.013 0.435 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -55.25 -36.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.96 -52.98 36.12 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.102 -0.639 . . . . 1.0 110.802 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 3.7 mm? -59.47 -49.42 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.471 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.64 -45.47 92.7 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.272 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -46.48 -36.32 6.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.645 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.4 -35.84 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.373 0.42 . . . . 1.0 110.474 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.93 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.923 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.22 -40.03 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.845 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -65.27 -37.46 87.27 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.097 -0.377 . . . . 1.0 110.574 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.41 -38.62 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.789 0.68 . . . . 1.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -152.53 89.25 3.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.041 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -85.06 -9.0 8.82 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 121.415 1.41 . . . . 1.0 112.054 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.09 -7.81 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 1.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 42' ' ' TYR . 96.6 mt-10 -86.19 112.08 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 1.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 t -64.72 -45.69 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 1.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -51.57 -32.62 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 1.0 110.39 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 m-85 -71.13 -36.6 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.479 -0.763 . . . . 1.0 110.33 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -72.17 -32.67 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.305 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 tp -52.71 -43.36 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.599 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.3 tpt -61.18 -43.55 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.845 -0.742 . . . . 1.0 110.466 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -50.92 -48.28 60.73 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.949 1.406 . . . . 1.0 110.534 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.34 -49.98 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.17 -40.03 80.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.997 -0.281 . . . . 1.0 110.26 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.49 65.92 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.037 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.45 -41.05 93.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.331 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -63.86 -49.01 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.287 0.565 . . . . 1.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.9 -30.67 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.191 -0.318 . . . . 1.0 110.836 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -77.94 7.66 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.598 0.561 . . . . 1.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 72.55 26.18 2.55 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.803 0.441 . . . . 1.0 110.482 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -108.77 68.95 0.7 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.29 0.567 . . . . 1.0 110.199 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 88' ' ' TYR . 5.5 m-85 -57.71 -40.22 79.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.01 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 -50.18 72.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.772 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.8 -38.37 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.392 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.17 82.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.702 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.26 -41.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -57.68 -36.97 72.63 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.693 -0.629 . . . . 1.0 110.545 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.72 -46.21 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.421 0.451 . . . . 1.0 110.373 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -60.28 -47.72 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.441 . . . . 1.0 110.157 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.7 t30 -62.24 -34.24 76.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.278 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.47 -47.08 83.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.351 1.032 . . . . 1.0 109.986 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.63 -31.4 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.523 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 7.0 mt -89.33 -26.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.697 0.284 . . . . 1.0 110.482 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -73.6 -79.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.334 -0.228 . . . . 1.0 111.036 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG11 ' H ' ' A' ' 70' ' ' ILE . 2.6 p -48.81 -41.47 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 O-C-N 124.317 1.011 . . . . 1.0 110.597 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 72' ' ' ASP . 54.4 mt -112.28 130.17 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 122.0 0.905 . . . . 1.0 109.547 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.7 22.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.519 -0.738 . . . . 1.0 110.326 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 70' ' ' ILE . 64.8 t0 -83.85 78.04 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.78 -0.575 . . . . 1.0 110.33 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 75' ' ' ASN . 4.2 mt-10 -101.05 -4.51 27.27 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 69.2 t80 -80.11 25.03 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 73' ' ' GLU . 7.8 m120 -101.71 105.04 15.88 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.522 1.153 . . . . 1.0 110.089 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -60.58 -40.9 93.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.363 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.481 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.76 -50.51 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -60.2 -47.59 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.66 0.267 . . . . 1.0 110.319 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.14 96.07 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.246 -0.284 . . . . 1.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.86 73.93 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.447 0.467 . . . . 1.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 63' ' ' TYR . 22.2 tttp -55.63 -38.21 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.413 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.16 58.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -51.24 -41.95 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.79 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 1.0 110.655 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.54 -32.94 66.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.668 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -62.89 -15.99 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.926 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.456 ' O ' ' CE1' ' A' ' 56' ' ' TYR . 95.7 m-85 -137.76 59.49 1.66 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.253 0.549 . . . . 1.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.75 144.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.209 0.528 . . . . 1.0 110.44 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 1.0 110.601 179.65 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 110.491 -0.189 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.63 -52.11 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 1.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.92 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.76 -50.95 61.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.737 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.89 -43.46 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.28 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.525 -0.47 . . . . 1.0 111.174 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.8 -42.02 83.37 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.955 0.784 . . . . 1.0 110.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.72 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.41 -38.78 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.83 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.244 -0.285 . . . . 1.0 110.741 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -62.71 -38.33 90.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.666 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.268 0.556 . . . . 1.0 110.068 -179.764 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo . . . . . 0 N--CA 1.491 1.358 0 CA-C-O 121.806 0.669 . . . . 1.0 112.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 71.39 -48.12 0.67 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.189 -0.945 . . . . 1.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 10' ' ' TYR . 96.4 mt-10 -76.56 -35.92 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.323 0.582 . . . . 1.0 110.715 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -55.46 -4.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.0 110.36 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' H ' ' C ' ' A' ' 8' ' ' GLU . 1.5 p90 -70.19 -10.05 57.65 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 122.114 0.959 . . . . 1.0 111.228 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.55 -13.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.353 -0.842 . . . . 1.0 109.946 179.221 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' VAL . 69.3 tt0 -62.5 -52.44 63.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 124.737 1.273 . . . . 1.0 110.399 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.46 -29.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.788 1.305 . . . . 1.0 111.374 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.8 t -80.37 -52.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 122.456 -0.437 . . . . 1.0 110.499 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ALA . 97.3 mt -44.63 -66.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.416 -0.178 . . . . 1.0 110.61 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.564 HE22 ' CG ' ' A' ' 45' ' ' MET . 77.9 mt-30 -46.48 -53.79 10.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.99 0.424 . . . . 1.0 110.221 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -61.22 2.42 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.63 -0.669 . . . . 1.0 110.803 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.85 -75.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.331 0.395 . . . . 1.0 110.347 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.05 114.71 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.83 56.55 4.26 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.119 -0.793 . . . . 1.0 111.119 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 25.3 p30 -122.44 56.58 1.11 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.826 0.346 . . . . 1.0 110.653 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -43.38 -38.75 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.237 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 24' ' ' GLU . 9.1 t -57.57 -51.16 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.584 0.552 . . . . 1.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 21' ' ' ASN . 88.7 mt-10 -53.67 -43.77 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.172 -0.33 . . . . 1.0 110.749 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -46.24 -24.3 0.45 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.617 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -57.11 -42.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.96 -51.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.414 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.48 -44.57 96.06 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.146 0.904 . . . . 1.0 110.781 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CE1' ' NZ ' ' A' ' 46' ' ' LYS . 28.3 t80 -58.86 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.08 -37.52 61.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.394 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.5 -47.55 63.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.73 -54.69 41.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.666 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.6 mp -59.11 -43.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.062 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -50.82 -33.31 23.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.118 -0.364 . . . . 1.0 110.302 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.5 mt -73.43 -39.69 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.553 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 21.7 p-10 -173.46 115.3 0.35 Allowed Pre-proline 0 CA--C 1.546 0.818 0 CA-C-O 118.529 -0.748 . . . . 1.0 110.923 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.24 24.61 0.74 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 120.876 1.051 . . . . 1.0 112.245 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -89.31 -6.39 56.75 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.089 -0.382 . . . . 1.0 110.699 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 4.2 pt-20 -91.68 99.4 12.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 1.0 110.38 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' TRP . 65.9 p -66.55 -45.19 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 1.0 110.913 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -47.51 -28.41 2.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.025 0.441 . . . . 1.0 110.111 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CD2' ' OE2' ' A' ' 39' ' ' GLU . 8.6 m-85 -78.3 -32.54 49.44 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.406 -0.808 . . . . 1.0 110.239 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.5 m95 -73.7 -36.57 65.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.335 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 tp -56.87 -39.08 73.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.52 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.564 ' CG ' HE22 ' A' ' 16' ' ' GLN . 60.4 tpp -67.41 -39.22 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.859 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 21.3 tptm -58.35 -47.03 85.08 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.917 1.386 . . . . 1.0 110.761 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 -48.13 73.83 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.67 -33.84 73.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 1.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.13 60.47 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.57 -45.89 85.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.284 -0.871 . . . . 1.0 110.601 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -56.22 -50.6 70.82 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.465 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.35 -26.17 68.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 122.239 -0.288 . . . . 1.0 110.567 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' HB3' HH11 ' A' ' 55' ' ' ARG . 5.6 mp -79.67 13.11 2.22 Favored 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 123.628 0.58 . . . . 1.0 110.3 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.42 5.63 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.395 0.678 . . . . 1.0 110.438 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.448 HH11 ' HB3' ' A' ' 53' ' ' LEU . 60.8 mtt85 -92.61 61.9 3.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.361 0.601 . . . . 1.0 109.897 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -55.89 -39.35 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.327 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.0 pt-20 -66.66 -51.18 59.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 15.8 tt0 -63.07 -42.31 99.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.264 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.46 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.327 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 t -58.64 -35.52 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.8 -38.55 78.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.868 -0.52 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 m -66.4 -52.0 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.473 0.483 . . . . 1.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -59.56 -43.43 93.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.505 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ASN . 7.0 m120 -62.87 -38.49 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.5 -0.48 . . . . 1.0 110.375 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.407 ' CE2' HG13 ' A' ' 69' ' ' VAL . 69.3 t80 -58.58 -45.07 89.84 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.346 1.029 . . . . 1.0 109.811 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.436 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 80.1 t -66.76 -42.41 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 123.287 0.367 . . . . 1.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.26 -23.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.38 0.609 . . . . 1.0 110.375 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 64' ' ' ASN . 49.3 t30 -84.73 -74.99 0.37 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 70' ' ' ILE . 1.6 p -50.59 -43.71 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 124.367 1.042 . . . . 1.0 110.469 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.503 ' CG2' ' H ' ' A' ' 72' ' ' ASP . 5.4 mt -102.38 132.5 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.584 1.183 . . . . 1.0 109.331 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -95.26 27.03 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.463 -0.773 . . . . 1.0 110.587 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 74' ' ' TYR . 81.6 m-20 -82.82 43.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.679 -0.638 . . . . 1.0 110.076 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.53 73.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.01 0.433 . . . . 1.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' ASP . 65.8 t80 -166.89 30.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.541 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -106.72 106.71 17.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.355 1.074 . . . . 1.0 110.076 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.07 -38.73 92.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.434 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.52 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.561 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.56 -47.31 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -58.6 -44.02 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 1.0 110.309 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -38.07 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.161 -0.337 . . . . 1.0 110.631 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.24 78.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HZ3' HD22 ' A' ' 64' ' ' ASN . 0.1 OUTLIER -61.45 -45.06 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.167 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.79 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -52.47 -41.68 63.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.168 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.06 89.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 1.0 110.492 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.97 -29.21 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.626 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.76 -17.16 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.028 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -129.15 53.22 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.5 tt -126.8 132.67 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.104 0.478 . . . . 1.0 110.409 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 1.0 110.446 179.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.517 0.199 . . . . 1.0 110.54 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.05 -49.78 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 1.0 110.432 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.48 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.772 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.24 -44.87 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.942 0.401 . . . . 1.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.54 -44.91 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.08 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.11 79.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.88 -45.79 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.937 0.773 . . . . 1.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.71 95.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.775 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -62.88 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 1.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.37 -28.07 60.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 1.0 110.878 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -95.9 -0.98 50.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.487 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.308 0.575 . . . . 1.0 109.708 -179.777 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo . . . . . 0 N--CA 1.492 1.416 0 CA-C-O 120.834 0.264 . . . . 1.0 111.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.55 -18.08 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.193 -0.942 . . . . 1.0 110.721 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.76 -37.61 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.409 0.623 . . . . 1.0 110.701 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.41 -16.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -56.68 -12.16 1.71 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.676 -0.64 . . . . 1.0 110.13 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -43.93 -21.99 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.357 -0.839 . . . . 1.0 110.801 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE2' ' CE1' ' A' ' 29' ' ' PHE . 19.2 pt-20 -54.41 -49.46 69.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.857 1.348 . . . . 1.0 110.479 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -36.08 -37.54 0.18 Allowed Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.717 1.26 . . . . 1.0 110.986 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -54.41 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.497 -0.413 . . . . 1.0 110.631 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 19' ' ' ALA . 69.0 mt -43.51 -63.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.439 -0.163 . . . . 1.0 110.608 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 22' ' ' TYR . 60.4 tp60 -47.24 -54.83 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.498 -0.481 . . . . 1.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -50.39 -61.33 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.591 -0.693 . . . . 1.0 111.052 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.3 -72.43 0.33 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.493 0.663 . . . . 1.0 110.658 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -88.45 86.72 7.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.563 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.23 80.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.482 -0.647 . . . . 1.0 111.482 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' ALA . 1.3 m-20 -127.43 58.87 1.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.805 0.336 . . . . 1.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 m-85 -42.54 -39.51 2.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.326 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -59.83 -48.84 80.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.427 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -56.54 -46.31 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -50.9 -26.78 6.31 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.656 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 1.6 tp -57.99 -44.53 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.297 0.57 . . . . 1.0 110.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 92.1 m-20 -55.1 -44.84 75.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.313 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -67.6 -43.56 80.18 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.158 0.911 . . . . 1.0 110.563 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' OE2' ' A' ' 12' ' ' GLU . 37.6 m-85 -59.33 -48.55 81.19 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.046 -0.661 . . . . 1.0 110.384 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -55.35 -40.73 71.6 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.593 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -63.02 -46.01 89.64 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.163 -0.615 . . . . 1.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.42 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.515 -0.474 . . . . 1.0 110.701 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.62 -48.16 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.675 0.609 . . . . 1.0 109.896 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -56.17 -38.33 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.085 -0.384 . . . . 1.0 110.531 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.27 -47.12 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.873 0.733 . . . . 1.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -170.62 109.46 0.43 Allowed Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.402 -0.809 . . . . 1.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.97 117.8 2.62 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 121.21 1.274 . . . . 1.0 111.931 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -175.22 -14.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.11 0.481 . . . . 1.0 110.988 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' ' CE2' ' A' ' 43' ' ' TRP . 72.9 mt-10 -92.67 97.45 10.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.869 0.366 . . . . 1.0 110.549 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -65.0 -44.36 89.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.426 0.632 . . . . 1.0 111.251 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -51.28 -31.05 19.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 1.0 110.39 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -78.62 -36.76 43.67 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.398 -0.814 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CE2' ' O ' ' A' ' 39' ' ' GLU . 1.4 m95 -76.08 -27.61 57.25 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.29 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.21 -40.97 87.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.023 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 mmt -66.5 -36.89 83.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.441 0.463 . . . . 1.0 110.827 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -58.0 -48.65 79.37 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.923 1.389 . . . . 1.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.06 69.6 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.61 -28.68 70.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.809 0.338 . . . . 1.0 110.605 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.34 53.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.99 -43.49 95.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.192 -0.913 . . . . 1.0 110.682 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.6 -50.61 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.77 -25.88 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.999 -0.281 . . . . 1.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.63 16.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.504 0.503 . . . . 1.0 110.563 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 74.65 8.44 4.33 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.42 0.688 . . . . 1.0 110.458 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -102.74 89.24 3.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.267 0.556 . . . . 1.0 109.993 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.58 -35.97 57.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.789 0.804 . . . . 1.0 110.237 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.49 -47.94 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.163 -0.926 . . . . 1.0 111.066 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.31 -45.69 86.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.504 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.57 -44.28 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.669 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.0 -36.81 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.16 -35.93 74.39 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.789 -0.569 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.77 -49.64 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.392 0.433 . . . . 1.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 63' ' ' TYR . 1.6 t80 -50.35 -45.51 55.15 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.52 -0.472 . . . . 1.0 109.94 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 32.6 m120 -60.42 -29.69 69.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -57.48 -49.35 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.459 1.1 . . . . 1.0 109.895 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.0 t -65.91 -45.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.756 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.51 -26.48 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.018 0.437 . . . . 1.0 110.164 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASN . 21.4 t-20 -87.76 -69.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.644 -0.253 . . . . 1.0 110.951 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.88 -48.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 124.349 1.031 . . . . 1.0 110.556 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 66' ' ' VAL . 48.5 mt -105.82 121.76 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.498 0.666 . . . . 1.0 109.587 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' GLU . 82.9 tt0 -59.49 -28.74 67.3 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.528 -0.732 . . . . 1.0 110.639 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -50.13 87.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.752 -0.592 . . . . 1.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.9 pp20? -101.0 -3.29 29.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.234 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 59.3 t80 -85.05 45.17 1.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.199 0.523 . . . . 1.0 110.656 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -105.75 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.492 1.139 . . . . 1.0 110.162 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HZ3' ' HH ' ' A' ' 74' ' ' TYR . 63.9 mttp -62.54 -35.57 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.643 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -69.59 -47.53 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.6 -51.56 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.677 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.418 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 15.7 m95 -59.18 -42.7 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 1.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.44 89.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.19 -0.319 . . . . 1.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.13 97.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.06 -40.42 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.513 . . . . 1.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.15 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.687 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -56.2 -42.22 76.81 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.397 0.436 . . . . 1.0 109.982 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.86 94.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 1.0 110.595 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 88' ' ' TYR . 80.8 mt -67.24 -21.14 65.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 64.2 ttt-85 -73.67 25.93 0.07 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.407 -0.517 . . . . 1.0 110.534 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.562 ' H ' ' C ' ' A' ' 86' ' ' LEU . 91.1 m-85 -158.51 27.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.461 0.476 . . . . 1.0 110.723 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.62 138.12 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.104 0.478 . . . . 1.0 110.271 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.113 0.482 . . . . 1.0 110.311 179.649 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.802 0.335 . . . . 1.0 110.296 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.87 -47.6 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.68 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -75.0 -42.41 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.43 . . . . 1.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.41 -47.53 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.108 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.61 73.08 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.355 -0.538 . . . . 1.0 111.105 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -58.63 -46.67 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.989 0.805 . . . . 1.0 110.117 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -68.03 -44.62 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.2 -37.29 79.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.611 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.6 97.49 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.235 -0.291 . . . . 1.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -93.14 -14.12 27.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ALA . 35.3 tp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.483 0.659 . . . . 1.0 109.991 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 121.014 0.339 . . . . 1.0 112.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.63 -44.58 56.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.222 -0.924 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.48 -33.86 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 1.0 110.795 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 4.4 m-30 -52.19 -22.48 4.37 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.237 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.1 p90 -50.47 -20.74 1.22 Allowed 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.599 -0.688 . . . . 1.0 110.172 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -43.48 -24.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.443 -0.785 . . . . 1.0 110.864 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -56.02 -52.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.783 1.302 . . . . 1.0 110.94 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -32.46 -35.09 0.02 OUTLIER Glycine 0 N--CA 1.475 1.246 0 O-C-N 124.752 1.283 . . . . 1.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.7 t -75.19 -51.05 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.6 -0.353 . . . . 1.0 110.747 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLU . 90.8 mt -43.61 -67.74 0.25 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 122.358 -0.214 . . . . 1.0 110.53 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.64 -56.71 6.63 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.081 -0.341 . . . . 1.0 110.081 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.1 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.681 -0.637 . . . . 1.0 110.738 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -75.49 -78.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.505 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.81 103.53 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.35 0.595 . . . . 1.0 110.47 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.44 73.91 0.15 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -138.45 61.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.608 -0.348 . . . . 1.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -43.3 -35.26 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.39 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -60.48 -49.51 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.079 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -55.93 -43.96 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 p -52.74 -24.83 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 1.0 110.714 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 8.2 tt -58.44 -41.69 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.505 0.669 . . . . 1.0 110.647 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 94.1 m-20 -57.85 -43.28 85.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.917 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -68.47 -44.9 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.097 0.873 . . . . 1.0 110.673 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -59.38 -47.96 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.706 -0.798 . . . . 1.0 110.466 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.98 -39.17 71.44 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.443 -0.503 . . . . 1.0 110.647 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -58.61 -43.7 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.29 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.221 -0.591 . . . . 1.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -60.46 -44.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.065 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -54.78 -46.59 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.115 -0.366 . . . . 1.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.38 -42.64 78.83 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.755 0.66 . . . . 1.0 110.599 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -140.66 93.3 8.64 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.796 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -87.61 54.72 2.67 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.378 1.385 . . . . 1.0 112.119 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -153.99 35.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 1.0 110.15 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -125.72 112.7 16.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.232 0.539 . . . . 1.0 110.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -68.49 -45.79 71.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.063 0.459 . . . . 1.0 110.989 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -50.3 -37.13 34.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 1.0 110.012 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.07 -35.67 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 1.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -75.52 -34.57 60.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.7 -39.72 81.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.364 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.454 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -66.19 -39.95 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.927 -0.709 . . . . 1.0 110.89 -179.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.28 -46.45 79.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.9 1.375 . . . . 1.0 110.653 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.24 -47.69 73.18 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.159 -0.777 . . . . 1.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -61.18 -33.55 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.946 -0.301 . . . . 1.0 110.54 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.67 -50.01 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.799 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 62' ' ' CYS . 46.3 mt -64.44 -40.28 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.72 -51.16 70.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.335 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -62.36 -24.76 67.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.238 -0.289 . . . . 1.0 110.617 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.55 14.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.64 0.588 . . . . 1.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 72.8 7.48 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.372 0.669 . . . . 1.0 110.288 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -93.36 65.26 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 1.0 110.082 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.069 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 9.6 pt-20 -67.55 -51.35 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 41.4 tt0 -59.95 -43.69 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.414 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.73 95.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.429 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.19 -42.19 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.95 -35.08 75.82 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.792 -0.568 . . . . 1.0 110.348 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 50' ' ' LEU . 85.0 m -69.93 -52.63 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.429 0.456 . . . . 1.0 110.529 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.37 -41.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.043 -0.663 . . . . 1.0 110.751 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' ASN . 42.2 t30 -62.1 -33.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.593 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -56.58 -43.75 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.455 1.097 . . . . 1.0 110.07 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.33 -44.1 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.96 -25.42 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.141 0.496 . . . . 1.0 109.873 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ASN . 27.5 t-20 -87.76 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.53 -0.305 . . . . 1.0 111.079 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.2 t -51.07 -45.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 124.399 1.062 . . . . 1.0 110.396 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 ' C ' ' H ' ' A' ' 72' ' ' ASP . 28.1 mt -107.3 120.73 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 1.0 109.747 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 73' ' ' GLU . 80.6 mm-40 -74.82 18.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.471 -0.768 . . . . 1.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t0 -71.46 41.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.763 -0.586 . . . . 1.0 110.403 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 71' ' ' GLU . 76.9 tt0 -61.28 72.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.165 0.507 . . . . 1.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 74' ' ' TYR . 69.7 t80 -168.04 34.01 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -108.3 108.52 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.951 0.881 . . . . 1.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.54 -36.59 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.87 -0.519 . . . . 1.0 110.79 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.75 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -64.92 -46.77 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 36.0 m0 -60.67 -45.11 95.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 1.0 110.229 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.51 98.76 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.271 -0.268 . . . . 1.0 110.866 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.798 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -61.29 -42.09 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.413 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.65 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.389 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.08 -41.6 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.112 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.46 93.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.409 . . . . 1.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 88' ' ' TYR . 96.0 mt -65.69 -41.14 92.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -55.91 -5.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 86' ' ' LEU . 84.3 m-85 -143.16 55.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.159 0.504 . . . . 1.0 110.749 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.6 tt -129.07 139.86 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.14 0.495 . . . . 1.0 110.62 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 1.0 110.752 179.625 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.531 -0.174 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -66.53 -48.02 71.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.928 0.394 . . . . 1.0 110.387 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.92 77.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.28 -47.26 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.88 -43.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.133 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.8 75.39 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.965 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.23 -47.67 82.81 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.965 0.791 . . . . 1.0 110.727 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.32 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.762 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -64.42 -41.34 96.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.452 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.89 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 1.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -66.79 -43.63 83.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.643 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.261 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 N--CA 1.496 1.638 0 CA-C-O 121.235 0.431 . . . . 1.0 112.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.17 -16.17 63.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.13 -0.981 . . . . 1.0 110.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -72.83 -32.74 65.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.345 0.403 . . . . 1.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.899 0.38 . . . . 1.0 110.462 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -49.52 -16.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 1.0 110.446 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -41.63 -22.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.503 -0.748 . . . . 1.0 110.776 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.4 pt-20 -58.7 -48.92 79.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 124.812 1.32 . . . . 1.0 110.616 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -38.18 -40.52 0.88 Allowed Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.783 1.302 . . . . 1.0 110.908 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.75 -58.36 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.974 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.0 mt -43.54 -64.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.283 -0.266 . . . . 1.0 110.283 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' ALA . 9.6 tp-100 -49.49 -54.92 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.206 -0.294 . . . . 1.0 110.206 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.58 -61.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.624 -0.672 . . . . 1.0 110.757 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -66.47 -67.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 1.0 110.444 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -103.0 -128.27 0.23 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.99 -92.6 0.75 Allowed Glycine 0 N--CA 1.471 0.999 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 57.04 37.4 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.599 -0.354 . . . . 1.0 110.352 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.524 ' CD2' ' N ' ' A' ' 23' ' ' THR . 10.5 p90 -64.62 -54.03 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.645 0.591 . . . . 1.0 110.413 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.524 ' N ' ' CD2' ' A' ' 22' ' ' TYR . 99.5 m -64.53 -42.87 95.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.626 0.579 . . . . 1.0 110.268 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.05 -44.75 94.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.893 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 71.4 p -53.23 -28.11 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.297 0.57 . . . . 1.0 110.785 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 tt -52.33 -35.22 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 1.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.489 ' CG ' ' HZ3' ' A' ' 31' ' ' LYS . 27.1 t70 -65.85 -49.64 67.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.51 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.4 mm? -60.42 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.123 -0.944 . . . . 1.0 110.633 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.55 -47.43 83.88 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.563 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 29' ' ' PHE . 80.6 tt0 -51.85 -38.65 56.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.676 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HZ3' ' CG ' ' A' ' 27' ' ' ASP . 59.5 mttp -66.67 -40.14 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.816 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.65 70.99 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.1 -36.18 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.232 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.76 -41.67 87.09 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.103 -0.373 . . . . 1.0 110.515 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.0 -40.2 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.492 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -146.25 99.88 4.2 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.896 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.63 83.92 1.33 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.211 1.274 . . . . 1.0 111.529 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -175.06 -9.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.505 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -71.14 97.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.206 0.527 . . . . 1.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -63.76 -46.28 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.935 0.398 . . . . 1.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -49.42 -30.58 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 1.0 110.178 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.04 -36.73 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.416 -0.802 . . . . 1.0 110.604 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -67.14 -30.95 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.376 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.62 -41.83 67.1 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.564 -0.743 . . . . 1.0 110.715 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.6 mmm -63.55 -40.79 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.892 -0.723 . . . . 1.0 110.352 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -50.92 -58.86 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.893 1.371 . . . . 1.0 110.921 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.98 59.85 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -56.25 -39.33 72.42 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.568 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.43 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 1.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.41 -41.52 97.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.27 -49.52 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.491 . . . . 1.0 110.496 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.47 -30.57 71.35 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.5 mt -74.09 1.78 10.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 123.693 0.621 . . . . 1.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 80.19 22.81 0.44 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.669 0.388 . . . . 1.0 110.852 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -109.59 70.81 0.74 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.269 0.556 . . . . 1.0 109.727 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.65 -40.39 79.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.861 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.69 -51.29 67.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.729 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -65.98 -38.37 88.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.406 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.97 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.773 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.79 -43.22 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -63.76 -38.57 91.61 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.801 -0.562 . . . . 1.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 t -71.08 -52.1 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.395 0.435 . . . . 1.0 110.367 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -50.4 -41.65 52.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.215 -0.594 . . . . 1.0 110.178 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.3 t30 -59.04 -24.09 62.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.629 -0.428 . . . . 1.0 110.223 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -59.48 -45.43 91.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.409 1.068 . . . . 1.0 109.894 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.1 t -67.18 -46.49 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 123.32 0.388 . . . . 1.0 110.683 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.467 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 1.6 mp -67.29 -38.62 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.165 0.507 . . . . 1.0 110.204 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -75.21 -71.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.96 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -49.08 -46.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.331 1.019 . . . . 1.0 110.627 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 72' ' ' ASP . 57.5 mt -113.1 130.46 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.795 0.807 . . . . 1.0 109.747 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 73' ' ' GLU . 26.2 tp10 -78.24 24.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.434 -0.791 . . . . 1.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 74' ' ' TYR . 32.8 p-10 -74.94 23.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.657 -0.652 . . . . 1.0 110.512 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 71' ' ' GLU . 83.7 tt0 -56.14 79.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 87.1 t80 -168.08 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -43.6 112.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.975 0.893 . . . . 1.0 110.494 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -61.44 -36.8 81.4 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.832 -0.542 . . . . 1.0 110.417 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.78 -46.94 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.778 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.49 -49.47 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.371 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.46 -47.8 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 1.0 110.196 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.72 90.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.198 -0.314 . . . . 1.0 110.671 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.87 88.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.69 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.473 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -50.35 -41.7 51.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.226 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.49 95.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 1.0 110.544 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.87 -19.52 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.89 -11.04 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.25 47.81 2.38 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.605 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.0 tt -129.65 140.87 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.121 0.486 . . . . 1.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.445 0.64 . . . . 1.0 110.477 179.707 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.97 -51.75 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 1.0 110.638 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.69 -52.03 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.212 -0.595 . . . . 1.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.8 -43.09 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.17 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.72 -55.09 37.4 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.862 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.68 -39.09 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.04 0.837 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -48.29 53.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 1.0 110.736 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.13 -39.69 90.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.657 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.79 78.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 1.0 111.158 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.08 -46.72 41.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.681 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.036 -179.415 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 N--CA 1.495 1.612 0 CA-C-O 121.364 0.485 . . . . 1.0 112.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 68.27 -48.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.145 -0.972 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -77.05 -36.74 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.27 0.557 . . . . 1.0 110.904 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -53.78 -13.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.26 -10.21 1.89 Allowed 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.63 -0.669 . . . . 1.0 110.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -46.84 -26.67 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.472 -0.767 . . . . 1.0 110.765 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' VAL . 15.4 tm-20 -52.51 -51.49 59.23 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 124.75 1.281 . . . . 1.0 110.827 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -34.62 -32.58 0.02 OUTLIER Glycine 0 N--CA 1.472 1.099 0 O-C-N 124.784 1.303 . . . . 1.0 111.19 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLU . 40.9 t -80.96 -51.81 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 O-C-N 122.467 -0.431 . . . . 1.0 110.618 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.9 mt -44.43 -67.72 0.26 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 22' ' ' TYR . 26.7 tp60 -47.06 -53.15 13.31 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.282 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.65 -61.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.64 -0.663 . . . . 1.0 110.728 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -76.38 -75.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.633 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.89 112.81 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.638 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.23 59.64 4.55 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.7 p30 -121.1 59.07 0.95 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.514 -0.404 . . . . 1.0 110.399 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 90.7 m-85 -39.02 -38.73 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.343 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -55.03 -49.73 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.621 0.575 . . . . 1.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.65 -45.09 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.937 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -50.45 -36.87 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 1.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.85 -44.18 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 O-C-N 122.015 -0.428 . . . . 1.0 110.213 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.039 -0.664 . . . . 1.0 110.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 3.4 tm? -69.56 -43.23 73.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.063 0.852 . . . . 1.0 110.92 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.96 -45.31 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.777 -0.769 . . . . 1.0 110.398 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.97 -35.38 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.502 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.25 -47.1 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.72 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.63 -52.14 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.879 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.14 -42.36 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.164 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -51.95 -35.74 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.116 -0.365 . . . . 1.0 110.439 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.43 -40.08 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.611 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -165.43 114.46 0.83 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.94 -0.552 . . . . 1.0 110.733 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.53 ' C ' ' H ' ' A' ' 39' ' ' GLU . 66.1 Cg_endo -82.78 -10.33 10.64 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 121.122 1.215 . . . . 1.0 112.078 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -70.46 37.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.42 . . . . 1.0 110.679 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.7 mt-10 -130.27 99.43 5.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.22 0.533 . . . . 1.0 110.21 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -66.88 -45.32 78.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 1.0 110.891 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' O ' ' SD ' ' A' ' 45' ' ' MET . 25.8 mtmm -48.88 -32.35 8.74 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -77.48 -33.17 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.407 -0.808 . . . . 1.0 110.479 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -78.15 -39.29 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.441 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -67.9 -38.89 83.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.843 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -57.36 -46.28 83.5 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.903 1.377 . . . . 1.0 110.494 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.1 -43.81 56.48 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.43 -34.17 74.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 1.0 110.478 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.24 61.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.919 0.39 . . . . 1.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.53 -43.03 95.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.664 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -57.52 -50.16 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.342 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.81 -24.3 66.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 121.005 -0.278 . . . . 1.0 110.603 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.5 mt -81.26 15.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.632 0.583 . . . . 1.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 71.32 7.09 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.558 0.743 . . . . 1.0 110.383 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -91.92 60.07 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 1.0 110.095 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.54 -37.83 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.419 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.83 -51.28 50.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.28 -42.75 99.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.441 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.9 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.75 -36.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.946 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -60.04 -36.66 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.775 -0.578 . . . . 1.0 110.484 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.2 m -69.14 -50.49 47.43 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.386 0.429 . . . . 1.0 110.638 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -59.3 -43.26 92.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.03 -36.47 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.786 -0.365 . . . . 1.0 110.595 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.22 -44.27 92.29 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.448 1.092 . . . . 1.0 109.94 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.65 -34.01 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 O-C-N 123.276 0.36 . . . . 1.0 110.467 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.5 mt -81.43 -22.05 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 1.0 110.184 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -80.71 -79.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.305 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG21 ' H ' ' A' ' 70' ' ' ILE . 4.8 m -46.64 -40.42 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 124.305 1.003 . . . . 1.0 110.46 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.575 ' C ' ' H ' ' A' ' 72' ' ' ASP . 52.5 mt -107.59 115.65 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 122.065 0.936 . . . . 1.0 109.461 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -70.02 27.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.466 -0.771 . . . . 1.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 70' ' ' ILE . 21.7 t0 -46.75 -56.96 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.783 -0.573 . . . . 1.0 110.414 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASP . 96.4 mt-10 32.18 42.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.369 0.604 . . . . 1.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -152.22 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.799 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.407 ' C ' HD21 ' A' ' 75' ' ' ASN . 0.3 OUTLIER -52.19 110.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.279 1.038 . . . . 1.0 110.262 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -65.0 -37.99 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.555 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.61 -40.89 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.549 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.57 -46.58 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.483 ' CZ3' ' NH2' ' A' ' 102' ' ' ARG . 71.2 m95 -64.97 -47.07 78.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 1.0 110.338 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.227 -0.296 . . . . 1.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.82 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -61.54 -36.12 79.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.216 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.83 -47.87 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.575 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.9 -42.34 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.3 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.9 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 1.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.469 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -66.84 -20.09 65.86 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -130.04 58.15 1.67 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.744 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -127.37 136.02 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.087 0.47 . . . . 1.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 1.0 110.508 179.549 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.164 0 N-CA-C 110.265 -0.272 . . . . 1.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.38 -48.34 80.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.848 0.356 . . . . 1.0 110.619 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.26 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.881 -0.328 . . . . 1.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -67.61 -46.62 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.101 0.477 . . . . 1.0 110.575 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.08 -44.68 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.144 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.46 72.03 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.738 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -58.89 -46.37 87.99 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.0 0.812 . . . . 1.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.06 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 1.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' NH2' ' CZ3' ' A' ' 79' ' ' TRP . 57.6 ttp180 -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 1.0 110.58 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.78 79.11 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.187 -0.321 . . . . 1.0 111.029 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -67.55 -44.05 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 1.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.181 -179.576 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' O ' ' OD1' ' A' ' 3' ' ' ASP . 58.9 t -96.87 112.77 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.208 0.528 . . . . 1.0 110.182 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 2' ' ' VAL . 85.0 m-20 -143.73 109.13 5.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.334 0.588 . . . . 1.0 110.589 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -138.13 -66.97 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.077 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.726 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 15.1 m120 -159.49 -35.31 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 115.528 -0.76 . . . . 1.0 112.497 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.726 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 56.1 Cg_endo -82.81 24.55 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 121.659 1.573 . . . . 1.0 112.027 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -75.24 -46.57 32.93 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.167 -0.958 . . . . 1.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 40.2 mp0 -74.0 -33.7 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 1.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.429 ' C ' ' H ' ' A' ' 11' ' ' LEU . 27.6 m-85 -53.65 -22.4 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.442 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLU . 1.3 p90 -48.94 -14.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.549 0.69 . . . . 1.0 110.464 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 9' ' ' TYR . 2.1 pp -48.03 -20.27 0.33 Allowed 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 121.447 -0.783 . . . . 1.0 110.51 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' VAL . 13.6 tm-20 -57.55 -54.31 48.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.827 1.329 . . . . 1.0 110.8 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -33.91 -32.59 0.02 OUTLIER Glycine 0 N--CA 1.475 1.245 0 O-C-N 124.735 1.272 . . . . 1.0 111.151 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . 39.1 t -76.65 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 122.458 -0.436 . . . . 1.0 110.582 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 19' ' ' ALA . 86.2 mt -43.94 -65.66 0.48 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 119.649 -0.215 . . . . 1.0 110.432 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.09 -56.08 6.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.571 -0.706 . . . . 1.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.77 -71.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 1.0 110.502 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -68.58 110.02 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 1.0 110.343 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 65.03 2.74 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' GLU . 40.7 t-20 -140.77 63.34 1.46 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.277 0.56 . . . . 1.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -41.4 -34.23 0.5 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.097 -0.956 . . . . 1.0 110.176 179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 m -62.41 -45.77 91.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.581 0.551 . . . . 1.0 110.049 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ASN . 83.9 tt0 -56.41 -45.78 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.179 -0.326 . . . . 1.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 81.6 p -50.3 -23.02 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.532 . . . . 1.0 110.56 -179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 8.7 tt -60.78 -41.93 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.251 0.548 . . . . 1.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 63.0 m-20 -58.54 -47.66 83.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.116 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.6 -43.07 77.25 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.092 0.87 . . . . 1.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.75 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.407 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -53.64 -38.51 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.608 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.55 -45.6 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.91 63.0 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.733 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.43 HG23 HD11 ' A' ' 33' ' ' ILE . 51.8 mt -64.5 -41.03 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 123.691 0.619 . . . . 1.0 110.557 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -53.96 -33.19 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.061 -0.399 . . . . 1.0 110.537 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.72 -49.26 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -172.35 112.83 0.38 Allowed Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.854 -0.593 . . . . 1.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.46 124.06 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 121.13 1.22 . . . . 1.0 111.672 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? 176.31 -8.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -96.67 108.42 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.201 0.524 . . . . 1.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 43' ' ' TRP . 38.3 t -67.2 -46.65 73.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.521 . . . . 1.0 111.133 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -47.73 -27.99 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.281 0.562 . . . . 1.0 110.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.06 -33.73 57.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.321 -0.862 . . . . 1.0 110.22 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 40' ' ' SER . 35.4 m95 -73.18 -35.36 66.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.024 -0.361 . . . . 1.0 110.024 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -57.66 -39.25 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.462 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.961 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -58.23 -44.49 88.24 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.884 1.365 . . . . 1.0 110.645 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.54 -49.43 60.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -58.77 -34.55 71.56 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.398 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.19 54.02 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.46 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.716 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.28 -50.72 72.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.389 -0.524 . . . . 1.0 110.233 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.97 -27.91 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.268 -0.27 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -77.09 11.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.5 ' C ' ' HE ' ' A' ' 55' ' ' ARG . 4.1 tp10 76.07 10.62 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.976 0.511 . . . . 1.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.5 ' HE ' ' C ' ' A' ' 54' ' ' GLU . 5.0 mmp_? -97.72 68.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 88' ' ' TYR . 2.4 m-85 -60.87 -41.21 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.951 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.69 -50.4 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.729 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.601 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.92 75.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.501 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.9 t -60.01 -38.35 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.9 -34.55 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.786 -0.571 . . . . 1.0 110.467 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.3 m -71.77 -45.27 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 1.0 110.716 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 1.8 t80 -57.87 -46.91 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ASN . 25.4 t-20 -66.75 -34.6 78.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.342 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.367 1.042 . . . . 1.0 110.425 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.6 -30.67 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.629 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 11.2 mt -89.39 -24.16 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 110.18 -0.304 . . . . 1.0 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.4 t-20 -80.63 -65.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.364 -0.21 . . . . 1.0 110.847 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.1 t -60.09 -46.43 94.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.319 1.012 . . . . 1.0 110.425 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 72' ' ' ASP . 58.3 mt -107.74 130.32 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 121.907 0.86 . . . . 1.0 109.671 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 57.5 mp0 -77.0 23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.532 -0.73 . . . . 1.0 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.9 t0 -76.87 46.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.767 -0.583 . . . . 1.0 110.216 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -77.49 77.82 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.229 0.537 . . . . 1.0 110.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' ' NZ ' ' A' ' 76' ' ' LYS . 73.6 t80 -168.11 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.36 107.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.132 0.968 . . . . 1.0 110.344 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 60.8 mttp -59.99 -42.97 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.843 -0.536 . . . . 1.0 110.629 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -59.41 -40.5 86.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 -50.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.523 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CH2' ' OH ' ' A' ' 63' ' ' TYR . 59.9 m95 -57.56 -43.32 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 1.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.38 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.268 -0.27 . . . . 1.0 110.75 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.73 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.571 ' NZ ' ' CD1' ' A' ' 63' ' ' TYR . 33.3 tttp -57.86 -45.15 86.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.162 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.82 53.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.514 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -56.91 -35.18 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.138 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.32 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 110.74 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 88' ' ' TYR . 10.0 mp -66.09 -35.56 80.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.32 -9.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.218 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 86' ' ' LEU . 97.8 m-85 -144.52 62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.099 0.476 . . . . 1.0 110.47 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -129.73 141.23 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.452 0.644 . . . . 1.0 110.345 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 58.0 mp0 -83.33 94.31 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.44 0.638 . . . . 1.0 110.573 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.25 -134.9 3.16 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -72.17 144.82 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 1.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -98.47 -24.24 15.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.16 -21.96 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.45 -49.88 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 1.0 110.523 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.84 -34.87 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.46 -47.41 73.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 1.0 110.609 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.1 mt -58.68 -41.0 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.22 70.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.27 -44.92 76.09 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.989 0.805 . . . . 1.0 110.624 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.26 79.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 1.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -62.67 -41.42 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.192 0.52 . . . . 1.0 110.734 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.16 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -87.1 18.12 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.674 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 23.1 tp -62.68 -40.59 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.763 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 77.5 tt0 -52.2 -31.27 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.522 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 106' ' ' GLU . 11.7 p-80 43.01 -164.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.72 0.295 . . . . 1.0 110.526 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -159.82 158.3 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -150.92 134.16 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.029 0.442 . . . . 1.0 110.541 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.5 m170 47.97 84.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.746 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -64.89 -44.09 90.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.507 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.589 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.64 -45.77 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 t70 46.79 74.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 1.0 110.946 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' ASN . 96.2 mt-30 -51.38 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.981 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 6' ' ' PRO . 7.1 m120 51.08 103.45 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.966 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 53.9 Cg_exo -52.08 -158.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.899 1.733 . . . . 1.0 111.972 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 55.1 tt0 92.6 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.213 -0.929 . . . . 1.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 6' ' ' PRO . 31.6 mp0 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 1.0 110.652 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -57.59 -17.86 16.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 1.0 110.277 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' GLU . 2.2 p90 -50.3 -15.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.432 0.634 . . . . 1.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.84 -20.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.486 -0.759 . . . . 1.0 110.531 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 14.0 tm-20 -60.86 -53.9 51.69 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.8 1.313 . . . . 1.0 111.112 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.5 -31.57 0.03 OUTLIER Glycine 0 N--CA 1.47 0.924 0 O-C-N 124.721 1.263 . . . . 1.0 110.823 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLU . 28.8 t -74.67 -54.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.489 -0.418 . . . . 1.0 110.755 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -42.31 -67.5 0.26 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 122.401 -0.187 . . . . 1.0 110.509 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 12' ' ' GLU . 2.8 pt20 -49.82 -52.34 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' H ' ' HG3' ' A' ' 16' ' ' GLN . 2.9 m-85 -53.51 -65.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.634 -0.666 . . . . 1.0 110.872 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.55 -70.69 0.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.032 -0.358 . . . . 1.0 110.032 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' GLN . . . -103.41 -120.99 0.19 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.447 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.82 -93.33 0.39 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 54.47 38.49 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.624 -0.339 . . . . 1.0 110.221 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -64.86 -53.95 38.61 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.624 0.578 . . . . 1.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -66.52 -44.1 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 83.2 tt0 -63.46 -43.64 96.79 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.179 -0.325 . . . . 1.0 110.763 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -53.07 -24.93 11.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 1.0 110.569 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -45.85 -28.72 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 121.983 -0.448 . . . . 1.0 110.188 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' OD1' ' O ' ' A' ' 24' ' ' GLU . 34.5 p-10 -68.28 -48.44 64.98 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.68 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 4.4 mm? -54.54 -54.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.891 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.87 -45.43 92.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.335 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -53.55 -37.96 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.65 -44.42 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.8 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.908 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.69 -32.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.386 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.49 -32.68 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.081 -0.387 . . . . 1.0 110.593 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.91 -38.57 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.881 0.738 . . . . 1.0 110.52 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -163.05 96.85 1.07 Allowed Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -82.05 55.78 5.57 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 121.11 1.206 . . . . 1.0 112.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -130.88 -14.44 3.52 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.676 0.39 . . . . 1.0 110.311 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.96 93.25 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 1.0 110.474 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -53.48 -38.42 63.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.715 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.65 -33.39 22.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 1.0 110.208 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -78.12 -38.58 43.58 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.51 -0.743 . . . . 1.0 110.415 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.86 -36.44 70.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.224 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.43 -40.55 74.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.328 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -62.83 -41.44 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 1.0 110.712 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -52.46 -48.7 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 124.939 1.399 . . . . 1.0 110.842 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.51 -48.65 48.48 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.044 -0.823 . . . . 1.0 111.044 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -37.7 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.506 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.29 -51.23 66.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.306 -0.557 . . . . 1.0 110.687 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.89 -42.15 97.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.33 -49.61 74.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.58 -29.82 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.037 -0.265 . . . . 1.0 110.67 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 7.4 mp -80.48 9.6 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.642 0.588 . . . . 1.0 110.618 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 58.2 mm-40 73.68 25.45 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.439 . . . . 1.0 110.529 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -108.16 65.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 1.0 110.21 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.55 -38.26 83.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.215 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.43 -52.38 58.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.98 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.2 mp0 -68.41 -38.54 81.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.07 -39.16 63.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.439 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.59 -33.41 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.021 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.27 -38.26 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.874 -0.516 . . . . 1.0 110.602 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -65.84 -51.17 61.11 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.478 0.486 . . . . 1.0 110.537 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.27 -44.83 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -40.47 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.517 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 28.6 t80 -60.39 -45.77 92.36 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.443 1.089 . . . . 1.0 110.176 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.05 -44.29 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.455 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -68.6 -38.54 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 1.0 110.187 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -74.79 -69.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.17 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.1 t -48.97 -47.04 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 124.361 1.038 . . . . 1.0 110.659 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.584 ' C ' ' H ' ' A' ' 72' ' ' ASP . 35.3 mt -105.24 117.04 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.778 0.799 . . . . 1.0 109.656 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.13 26.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.497 -0.752 . . . . 1.0 110.529 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 70' ' ' ILE . 5.9 t70 -52.4 -53.29 47.04 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.691 -0.631 . . . . 1.0 110.539 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' ASP . 68.3 tt0 30.45 49.51 0.07 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.327 0.584 . . . . 1.0 111.025 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 66.0 t80 -164.44 22.95 0.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.358 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -101.48 106.25 17.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 122.312 1.053 . . . . 1.0 109.776 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.74 -37.1 82.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.69 -46.0 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.538 ' CD2' ' NH1' ' A' ' 102' ' ' ARG . 41.2 m0 -59.82 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.23 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.15 87.56 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.201 -0.312 . . . . 1.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.05 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.463 0.477 . . . . 1.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.07 -43.44 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.55 52.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -50.58 -37.11 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.181 0.515 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.89 -28.41 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.47 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -67.41 -13.62 62.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.945 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.19 60.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -128.81 144.6 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.294 0.568 . . . . 1.0 110.448 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -69.76 91.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.165 0.507 . . . . 1.0 110.471 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.88 -153.2 13.36 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -72.81 152.42 41.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 1.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.94 -14.91 35.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.467 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.18 -35.72 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.325 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.93 -51.69 55.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.403 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -25.39 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.703 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -67.09 -49.76 63.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.779 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.42 ' N ' ' CD1' ' A' ' 98' ' ' ILE . 1.7 mp -58.39 -44.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.089 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.82 65.6 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.87 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.016 0.822 . . . . 1.0 110.457 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.86 -46.36 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.824 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 79' ' ' TRP . 71.3 ttp85 -59.73 -41.35 90.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.832 0.349 . . . . 1.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.76 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.131 -0.355 . . . . 1.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.97 -47.79 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.016 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.502 ' CD2' ' H ' ' A' ' 106' ' ' GLU . 0.5 OUTLIER 51.74 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.33 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.502 ' H ' ' CD2' ' A' ' 105' ' ' LEU . 83.1 tt0 -63.59 132.97 52.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.072 0.463 . . . . 1.0 110.454 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 106' ' ' GLU . 5.4 m-70 -172.49 -63.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' HIS . 96.7 m-70 50.18 -97.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 1.0 110.36 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.472 ' CD2' ' O ' ' A' ' 107' ' ' HIS . 81.3 m-70 44.69 -90.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.773 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' HIS . 5.5 p-80 -153.34 148.53 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.488 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -88.06 -11.83 46.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.895 -1.05 . . . . 1.0 110.618 179.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.079 -0.712 . . . . 1.0 109.079 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -74.85 140.27 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.24 105.9 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.229 0.538 . . . . 1.0 110.523 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -68.96 -32.43 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.998 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 7' ' ' GLU . 12.9 m120 -134.86 84.14 38.92 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.744 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.12 43.43 0.14 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.328 2.019 . . . . 1.0 112.052 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 5' ' ' ASN . 78.2 tt0 -65.3 -20.89 66.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.227 -0.921 . . . . 1.0 110.346 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.75 -34.43 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.349 0.406 . . . . 1.0 110.754 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -57.62 -14.92 6.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.647 0.26 . . . . 1.0 110.386 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.6 p90 -54.54 -16.69 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 1.0 110.245 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.0 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.347 -0.845 . . . . 1.0 111.112 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' TYR . 25.5 tp10 -53.9 -50.79 65.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.224 -1.353 . . . . 1.0 110.736 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -35.51 -41.7 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 O-C-N 124.704 1.253 . . . . 1.0 111.0 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.84 -55.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 122.559 -0.377 . . . . 1.0 110.527 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' ALA . 51.9 mt -42.87 -68.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -44.09 -53.91 5.99 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -50.97 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.679 -0.638 . . . . 1.0 111.239 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.67 -73.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.985 0.421 . . . . 1.0 110.645 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -74.29 102.95 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.02 58.43 0.79 Allowed Glycine 0 N--CA 1.459 0.175 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -113.0 60.95 0.64 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.639 -0.33 . . . . 1.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' O ' ' OG ' ' A' ' 25' ' ' SER . 58.3 m-85 -45.9 -40.47 10.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.979 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.3 m -56.58 -48.92 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.556 0.535 . . . . 1.0 110.216 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.15 -40.62 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.913 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 24.9 p -49.93 -33.43 17.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.509 -0.477 . . . . 1.0 110.671 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 1.6 mp -58.16 -40.81 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.04 -49.14 78.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.32 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.8 mm? -64.58 -46.17 83.89 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 124.104 0.878 . . . . 1.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.87 -45.64 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.297 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -51.76 -39.84 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.595 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.85 -43.79 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.86 -54.58 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.925 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mt -54.65 -35.81 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.06 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.18 -33.37 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.043 -0.411 . . . . 1.0 110.364 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -43.24 92.71 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.794 0.684 . . . . 1.0 110.677 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.72 93.56 0.46 Allowed Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -87.67 103.42 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.273 1.316 . . . . 1.0 111.827 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -165.59 45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.14 -0.35 . . . . 1.0 110.195 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.562 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -157.6 99.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 1.0 110.412 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -48.52 -24.98 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 122.361 -0.212 . . . . 1.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -50.87 -42.42 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.024 0.44 . . . . 1.0 110.372 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 2.3 p90 -81.73 -37.52 27.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.315 -0.865 . . . . 1.0 110.033 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.065 -178.578 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.959 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtp -61.57 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.722 -0.791 . . . . 1.0 110.516 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HZ1' ' CB ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -50.69 -49.02 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.945 1.403 . . . . 1.0 111.049 -179.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.73 49.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.171 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -51.04 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.751 -0.379 . . . . 1.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.08 -43.08 99.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.669 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -60.08 -50.11 75.0 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.471 -0.491 . . . . 1.0 110.445 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.52 -29.91 69.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.19 -0.319 . . . . 1.0 110.65 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 52.2 mt -76.25 3.73 10.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.556 0.535 . . . . 1.0 110.761 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 35.4 tt0 79.93 26.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.797 0.439 . . . . 1.0 110.256 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -111.64 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.41 . . . . 1.0 110.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -58.31 -40.44 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.238 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.5 -50.84 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.01 -40.78 91.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.543 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.92 -37.24 63.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.5 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.01 -31.12 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.05 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.77 -37.01 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.697 -0.627 . . . . 1.0 110.325 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.31 -51.71 54.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.499 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.07 -43.65 97.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.86 -41.18 90.9 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.447 -0.501 . . . . 1.0 110.621 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -59.18 -41.58 88.79 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.452 1.095 . . . . 1.0 110.084 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 70' ' ' ILE . 76.2 t -68.8 -45.64 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.649 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.75 -39.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.107 0.48 . . . . 1.0 109.994 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.48 -65.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.2 t -55.28 -46.23 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 124.344 1.028 . . . . 1.0 110.268 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' O ' ' A' ' 66' ' ' VAL . 45.6 mt -112.88 127.87 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 1.0 109.808 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.58 18.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.512 -0.743 . . . . 1.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 70' ' ' ILE . 86.3 m-20 -78.48 40.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.769 -0.582 . . . . 1.0 110.27 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' NE1' ' A' ' 79' ' ' TRP . 15.7 pt-20 -58.68 -24.46 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.715 -0.221 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -54.44 -29.59 49.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.222 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -46.51 106.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.065 0.936 . . . . 1.0 110.54 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.41 -33.65 76.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.76 -43.72 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.683 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 76.8 t -65.06 -44.95 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.367 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.52 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 45.2 m95 -64.85 -49.88 68.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.38 83.39 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.225 -0.297 . . . . 1.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.65 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.786 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.63 -36.17 75.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.37 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.24 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.979 -0.288 . . . . 1.0 110.635 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.06 -41.22 59.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.31 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.21 85.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.03 0.443 . . . . 1.0 110.655 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.0 -32.12 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -38.58 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.966 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -112.01 75.18 0.9 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.193 0.521 . . . . 1.0 110.491 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CG1' ' N ' ' A' ' 90' ' ' GLU . 14.4 tt -129.22 168.49 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 123.19 0.596 . . . . 1.0 110.759 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' ' CG1' ' A' ' 89' ' ' ILE . 68.7 mm-40 -44.75 -51.12 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.84 115.27 0.97 Allowed Glycine 0 N--CA 1.465 0.597 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 94' ' ' VAL . 25.2 pttm -76.74 -42.49 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 1.0 110.495 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 48.44 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.368 0.604 . . . . 1.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 92' ' ' LYS . 45.6 t -135.28 -11.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.2 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -58.43 -52.33 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.395 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.07 79.3 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.99 -0.284 . . . . 1.0 110.895 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.12 -51.99 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.441 -0.504 . . . . 1.0 110.786 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.88 -40.74 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.76 -53.77 51.5 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.019 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -54.82 -43.51 73.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 124.007 0.817 . . . . 1.0 110.545 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.21 -48.63 64.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.78 -40.76 80.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 1.0 110.664 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.92 83.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -89.4 12.76 15.4 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.615 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.0 113.09 24.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.38 0.609 . . . . 1.0 109.783 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -102.83 159.18 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.272 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -140.96 27.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 1.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -166.94 125.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.3 5.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.484 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 111' ' ' HIS . 44.6 t-80 -77.89 43.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.385 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.534 ' ND1' ' N ' ' A' ' 112' ' ' HIS . 61.6 t-80 55.55 164.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.598 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.534 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 98.4 m-70 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.192 -0.67 . . . . 1.0 109.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.8 m -81.72 135.45 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.234 0.54 . . . . 1.0 110.34 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 5' ' ' ASN . 46.1 t0 -172.39 4.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.045 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -75.61 9.15 2.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.181 0.515 . . . . 1.0 110.131 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 3' ' ' ASP . 25.7 t-20 -163.96 135.8 3.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.77 -0.65 . . . . 1.0 111.5 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.95 69.28 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 121.507 1.471 . . . . 1.0 111.875 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.93 -45.39 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.166 -0.959 . . . . 1.0 109.989 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.796 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 15.1 pt-20 -54.94 -27.83 46.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.374 0.421 . . . . 1.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' LEU . 38.5 m-85 -48.48 -7.49 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 O-C-N 122.276 -0.265 . . . . 1.0 111.227 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -54.56 72.63 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.71 -0.619 . . . . 1.0 111.73 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 9' ' ' TYR . 3.5 pp -126.64 -37.89 2.12 Favored 'General case' 0 CA--C 1.482 -1.641 0 CA-C-O 122.871 1.32 . . . . 1.0 111.393 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLY . 58.2 mp0 -51.36 -48.61 62.44 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 112.222 -2.263 . . . . 1.0 109.937 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -30.71 -56.93 0.25 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.714 1.259 . . . . 1.0 111.197 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.8 -54.74 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.147 0.474 . . . . 1.0 110.595 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 19' ' ' ALA . 21.0 mt -43.44 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.442 -0.162 . . . . 1.0 110.814 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -43.38 -60.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.397 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -44.22 -62.57 1.11 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.588 -0.695 . . . . 1.0 110.823 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.08 -80.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.378 0.424 . . . . 1.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.588 ' O ' ' O ' ' A' ' 15' ' ' LEU . . . -104.48 131.72 51.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.428 0.632 . . . . 1.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ALA . . . -33.08 -71.12 0.11 Allowed Glycine 0 N--CA 1.473 1.114 0 O-C-N 121.843 -0.536 . . . . 1.0 112.129 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 49.94 32.68 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.571 -0.37 . . . . 1.0 110.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.26 -50.49 71.53 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.132 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.0 m -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.508 -0.769 . . . . 1.0 110.278 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -55.94 -36.13 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.245 -0.284 . . . . 1.0 110.737 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -63.87 -24.37 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 1.0 110.504 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 tp -57.94 -35.52 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.606 0.717 . . . . 1.0 110.495 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -65.99 -34.97 79.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.05 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -73.1 -47.62 42.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.88 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.56 -43.08 97.67 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.364 -0.534 . . . . 1.0 110.197 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -55.39 -36.83 66.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.659 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -71.92 -41.03 68.37 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.986 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.7 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.319 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.0 mt -66.28 -28.81 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.453 0.644 . . . . 1.0 110.274 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.98 -33.76 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.119 -0.363 . . . . 1.0 110.473 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.61 -47.76 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.799 0.687 . . . . 1.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -175.13 113.16 0.28 Allowed Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 118.621 -0.704 . . . . 1.0 110.634 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HB2' ' H ' ' A' ' 38' ' ' GLU . 58.6 Cg_endo -83.38 -145.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.088 1.192 . . . . 1.0 111.898 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' H ' ' HB2' ' A' ' 37' ' ' PRO . 43.0 tt0 78.43 32.31 0.33 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.16 0.505 . . . . 1.0 110.714 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 21.2 mt-10 -148.18 90.07 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -49.07 -28.38 4.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.638 0.733 . . . . 1.0 111.141 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.48 -39.56 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.968 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 2.1 p90 -78.2 -32.59 50.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.935 0.874 . . . . 1.0 110.211 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.589 ' CD1' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.48 -41.04 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.085 -0.961 . . . . 1.0 109.932 -177.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.12 -43.37 74.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.281 -0.872 . . . . 1.0 109.762 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.14 -46.31 84.67 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.779 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -52.6 -49.77 64.38 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.882 1.364 . . . . 1.0 110.297 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.01 -48.0 53.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' N ' ' HH ' ' A' ' 63' ' ' TYR . 49.5 mtmt -59.38 -34.44 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.676 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.49 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.742 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.59 -38.91 82.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.383 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.14 -49.36 72.45 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 120.139 -0.625 . . . . 1.0 110.578 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.86 -30.5 67.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.781 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -79.67 11.65 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.551 0.532 . . . . 1.0 110.776 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 71.06 27.68 3.27 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.844 0.458 . . . . 1.0 110.546 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -111.56 64.49 0.62 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.441 0.639 . . . . 1.0 110.215 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -56.21 -38.67 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.119 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -51.05 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.993 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -65.34 -39.33 92.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.38 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.92 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.6 t -59.57 -41.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.47 -35.49 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.77 -0.581 . . . . 1.0 110.585 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.32 -53.42 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.4 0.438 . . . . 1.0 110.384 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.539 ' HH ' ' N ' ' A' ' 48' ' ' LYS . 28.7 m-85 -57.54 -42.86 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.18 -0.608 . . . . 1.0 110.646 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.03 -34.98 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.291 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -58.48 -42.72 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.33 1.019 . . . . 1.0 109.839 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.318 0.386 . . . . 1.0 110.729 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.59 -41.3 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -74.63 -70.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 95.4 t -47.81 -48.19 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 124.31 1.006 . . . . 1.0 110.739 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.654 ' C ' ' H ' ' A' ' 72' ' ' ASP . 76.7 mt -107.06 128.85 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.751 0.786 . . . . 1.0 109.727 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.36 25.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.451 -0.78 . . . . 1.0 110.989 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.654 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.2 t0 -46.33 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.776 -0.578 . . . . 1.0 110.564 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 38.49 39.29 0.3 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.991 0.424 . . . . 1.0 110.68 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -146.74 -45.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.573 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -43.8 117.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.456 1.122 . . . . 1.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -25.93 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.667 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.13 -46.67 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.676 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.46 -48.53 84.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.305 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -61.77 -49.61 75.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.204 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.01 83.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.208 -0.307 . . . . 1.0 110.543 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.93 81.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.02 -41.04 91.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.509 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.13 -51.88 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 1.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.39 -42.32 31.52 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.349 0.406 . . . . 1.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.22 94.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 1.0 110.555 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.08 -24.06 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -64.28 -17.78 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.628 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -141.72 72.0 1.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.2 tt -129.43 158.32 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.137 0.494 . . . . 1.0 110.444 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.01 139.72 45.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.333 0.587 . . . . 1.0 110.412 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.68 148.03 0.84 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -119.46 96.29 5.14 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.442 0.639 . . . . 1.0 109.849 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' GLU . 96.9 mt-10 -118.52 51.26 1.11 Allowed 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.112 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' GLU . 26.9 m 34.82 30.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.888 -0.597 . . . . 1.0 111.351 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 93' ' ' GLU . 39.5 tp10 -70.23 -48.61 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.567 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.91 -22.87 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.99 -49.14 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.433 ' CD1' ' N ' ' A' ' 98' ' ' ILE . 1.7 mp -57.81 -45.86 87.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.25 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.893 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.92 -45.65 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.001 0.813 . . . . 1.0 110.457 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.98 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 1.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -60.68 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.655 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.25 73.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 1.0 110.93 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -95.69 17.38 15.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.526 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 110.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 1.0 109.936 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -78.8 -80.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.452 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -160.37 -21.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 1.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -73.27 110.55 7.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 1.0 110.162 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -66.67 -39.95 88.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -64.19 135.79 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.536 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -75.74 148.35 38.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.63 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.657 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.8 t -86.49 129.67 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.1 t0 52.92 48.84 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 1.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -155.11 -25.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.938 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -37.8 104.22 0.28 Allowed Pre-proline 0 CA--C 1.541 0.621 0 CA-C-O 118.91 -0.567 . . . . 1.0 111.973 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.59 14.16 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 121.743 1.628 . . . . 1.0 112.227 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 76.4 mm-40 -66.68 -17.41 64.83 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.181 -0.949 . . . . 1.0 110.621 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -70.15 -37.05 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.072 0.463 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.68 -24.43 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 1.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.45 -16.75 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.584 -0.697 . . . . 1.0 110.434 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.2 pp -41.2 -23.03 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.441 -0.787 . . . . 1.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -58.35 -49.8 75.91 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 124.81 1.319 . . . . 1.0 110.668 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -37.4 -40.32 0.62 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.766 1.291 . . . . 1.0 110.925 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.85 -57.99 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.7 mt -43.31 -64.09 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.371 -0.233 . . . . 1.0 110.371 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 19' ' ' ALA . 76.4 mt-30 -50.3 -55.12 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.503 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -46.44 -60.23 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.615 -0.678 . . . . 1.0 110.831 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.62 -65.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.975 0.416 . . . . 1.0 110.628 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -98.91 -131.07 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.588 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.15 -94.17 0.92 Allowed Glycine 0 N--CA 1.475 1.244 0 N-CA-C 111.148 -0.781 . . . . 1.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 m120 55.94 34.84 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.625 -0.338 . . . . 1.0 110.172 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' O ' ' OG ' ' A' ' 25' ' ' SER . 97.0 m-85 -63.1 -52.19 63.63 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.629 0.581 . . . . 1.0 110.18 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -64.93 -42.77 94.4 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.7 0.625 . . . . 1.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.44 -43.57 98.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.107 -0.371 . . . . 1.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 41.5 p -53.4 -26.99 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.013 0.435 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -55.25 -36.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.96 -52.98 36.12 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.102 -0.639 . . . . 1.0 110.802 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 3.7 mm? -59.47 -49.42 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.471 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.64 -45.47 92.7 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.272 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -46.48 -36.32 6.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.645 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.4 -35.84 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.373 0.42 . . . . 1.0 110.474 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.93 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.923 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.22 -40.03 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.845 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -65.27 -37.46 87.27 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.097 -0.377 . . . . 1.0 110.574 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.41 -38.62 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.789 0.68 . . . . 1.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -152.53 89.25 3.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.041 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -85.06 -9.0 8.82 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 121.415 1.41 . . . . 1.0 112.054 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.09 -7.81 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 1.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 42' ' ' TYR . 96.6 mt-10 -86.19 112.08 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 1.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 t -64.72 -45.69 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 1.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -51.57 -32.62 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 1.0 110.39 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 m-85 -71.13 -36.6 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.479 -0.763 . . . . 1.0 110.33 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -72.17 -32.67 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.305 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 tp -52.71 -43.36 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.599 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.3 tpt -61.18 -43.55 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.845 -0.742 . . . . 1.0 110.466 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -50.92 -48.28 60.73 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.949 1.406 . . . . 1.0 110.534 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.34 -49.98 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.17 -40.03 80.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.997 -0.281 . . . . 1.0 110.26 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.49 65.92 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.037 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.45 -41.05 93.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.331 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -63.86 -49.01 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.287 0.565 . . . . 1.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.9 -30.67 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.191 -0.318 . . . . 1.0 110.836 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -77.94 7.66 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.598 0.561 . . . . 1.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 72.55 26.18 2.55 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.803 0.441 . . . . 1.0 110.482 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -108.77 68.95 0.7 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.29 0.567 . . . . 1.0 110.199 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 88' ' ' TYR . 5.5 m-85 -57.71 -40.22 79.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.01 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 -50.18 72.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.772 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.8 -38.37 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.392 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.17 82.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.702 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.26 -41.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -57.68 -36.97 72.63 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.693 -0.629 . . . . 1.0 110.545 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.72 -46.21 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.421 0.451 . . . . 1.0 110.373 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -60.28 -47.72 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.441 . . . . 1.0 110.157 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.7 t30 -62.24 -34.24 76.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.278 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -63.47 -47.08 83.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.351 1.032 . . . . 1.0 109.986 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.63 -31.4 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.523 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 7.0 mt -89.33 -26.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.697 0.284 . . . . 1.0 110.482 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -73.6 -79.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.334 -0.228 . . . . 1.0 111.036 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG11 ' H ' ' A' ' 70' ' ' ILE . 2.6 p -48.81 -41.47 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 O-C-N 124.317 1.011 . . . . 1.0 110.597 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 72' ' ' ASP . 54.4 mt -112.28 130.17 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 122.0 0.905 . . . . 1.0 109.547 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.7 22.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.519 -0.738 . . . . 1.0 110.326 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 70' ' ' ILE . 64.8 t0 -83.85 78.04 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.78 -0.575 . . . . 1.0 110.33 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' ' 75' ' ' ASN . 4.2 mt-10 -101.05 -4.51 27.27 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.883 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 69.2 t80 -80.11 25.03 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 73' ' ' GLU . 7.8 m120 -101.71 105.04 15.88 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.522 1.153 . . . . 1.0 110.089 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -60.58 -40.9 93.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.363 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.481 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.76 -50.51 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -60.2 -47.59 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.66 0.267 . . . . 1.0 110.319 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.14 96.07 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.246 -0.284 . . . . 1.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.86 73.93 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.447 0.467 . . . . 1.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.434 ' NZ ' ' CE1' ' A' ' 63' ' ' TYR . 22.2 tttp -55.63 -38.21 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.413 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.16 58.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -51.24 -41.95 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.79 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 1.0 110.655 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.54 -32.94 66.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.668 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -62.89 -15.99 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.926 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.456 ' O ' ' CE1' ' A' ' 56' ' ' TYR . 95.7 m-85 -137.76 59.49 1.66 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.253 0.549 . . . . 1.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.75 144.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.209 0.528 . . . . 1.0 110.44 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.92 139.81 56.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 1.0 110.601 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.13 60.33 2.56 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.29 131.41 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 1.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.05 -89.11 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.444 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.21 4.69 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.491 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.63 -52.11 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 1.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.92 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.76 -50.95 61.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.737 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.89 -43.46 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.28 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.525 -0.47 . . . . 1.0 111.174 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.8 -42.02 83.37 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.955 0.784 . . . . 1.0 110.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.72 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.41 -38.78 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.83 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.244 -0.285 . . . . 1.0 110.741 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' GLU . 19.7 mmtp -62.71 -38.33 90.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.666 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.5 tt -48.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.268 0.556 . . . . 1.0 110.068 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 104' ' ' LYS . 81.1 tt0 -106.78 -77.78 0.59 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.328 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -76.88 157.07 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -151.93 -67.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.158 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 111' ' ' HIS . 47.2 m170 49.54 -99.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 54.44 -83.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' HIS . 59.3 t-80 54.78 106.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.634 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.631 -179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.538 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.31 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.601 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 52.87 79.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.34 . . . . 1.0 110.619 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -69.11 132.05 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.142 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.39 147.34 97.35 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.645 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.29 -93.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 121.878 1.719 . . . . 1.0 112.007 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 71.39 -48.12 0.67 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.189 -0.945 . . . . 1.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 10' ' ' TYR . 96.4 mt-10 -76.56 -35.92 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.323 0.582 . . . . 1.0 110.715 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -55.46 -4.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.0 110.36 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' H ' ' C ' ' A' ' 8' ' ' GLU . 1.5 p90 -70.19 -10.05 57.65 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 122.114 0.959 . . . . 1.0 111.228 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.572 HD13 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.55 -13.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.353 -0.842 . . . . 1.0 109.946 179.221 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' VAL . 69.3 tt0 -62.5 -52.44 63.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 124.737 1.273 . . . . 1.0 110.399 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.46 -29.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.788 1.305 . . . . 1.0 111.374 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.8 t -80.37 -52.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 122.456 -0.437 . . . . 1.0 110.499 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ALA . 97.3 mt -44.63 -66.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.416 -0.178 . . . . 1.0 110.61 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.564 HE22 ' CG ' ' A' ' 45' ' ' MET . 77.9 mt-30 -46.48 -53.79 10.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.99 0.424 . . . . 1.0 110.221 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -61.22 2.42 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.63 -0.669 . . . . 1.0 110.803 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.85 -75.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.331 0.395 . . . . 1.0 110.347 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.05 114.71 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.83 56.55 4.26 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.119 -0.793 . . . . 1.0 111.119 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 25.3 p30 -122.44 56.58 1.11 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.826 0.346 . . . . 1.0 110.653 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -43.38 -38.75 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.237 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 24' ' ' GLU . 9.1 t -57.57 -51.16 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.584 0.552 . . . . 1.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 21' ' ' ASN . 88.7 mt-10 -53.67 -43.77 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.172 -0.33 . . . . 1.0 110.749 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -46.24 -24.3 0.45 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.617 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -57.11 -42.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.96 -51.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.414 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.48 -44.57 96.06 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.146 0.904 . . . . 1.0 110.781 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.427 ' CE1' ' NZ ' ' A' ' 46' ' ' LYS . 28.3 t80 -58.86 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.08 -37.52 61.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.394 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.5 -47.55 63.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.73 -54.69 41.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.666 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.6 mp -59.11 -43.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.062 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -50.82 -33.31 23.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.118 -0.364 . . . . 1.0 110.302 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.5 mt -73.43 -39.69 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.553 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 21.7 p-10 -173.46 115.3 0.35 Allowed Pre-proline 0 CA--C 1.546 0.818 0 CA-C-O 118.529 -0.748 . . . . 1.0 110.923 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.24 24.61 0.74 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 120.876 1.051 . . . . 1.0 112.245 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -89.31 -6.39 56.75 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.089 -0.382 . . . . 1.0 110.699 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 4.2 pt-20 -91.68 99.4 12.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 1.0 110.38 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' TRP . 65.9 p -66.55 -45.19 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 1.0 110.913 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -47.51 -28.41 2.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.025 0.441 . . . . 1.0 110.111 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CD2' ' OE2' ' A' ' 39' ' ' GLU . 8.6 m-85 -78.3 -32.54 49.44 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.406 -0.808 . . . . 1.0 110.239 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.5 m95 -73.7 -36.57 65.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.335 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 tp -56.87 -39.08 73.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.52 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.564 ' CG ' HE22 ' A' ' 16' ' ' GLN . 60.4 tpp -67.41 -39.22 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.859 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 21.3 tptm -58.35 -47.03 85.08 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.917 1.386 . . . . 1.0 110.761 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 -48.13 73.83 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.67 -33.84 73.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 1.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.47 -50.13 60.47 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.943 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.57 -45.89 85.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.284 -0.871 . . . . 1.0 110.601 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -56.22 -50.6 70.82 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.465 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.35 -26.17 68.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 122.239 -0.288 . . . . 1.0 110.567 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' HB3' HH11 ' A' ' 55' ' ' ARG . 5.6 mp -79.67 13.11 2.22 Favored 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 123.628 0.58 . . . . 1.0 110.3 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.42 5.63 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.395 0.678 . . . . 1.0 110.438 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 HH11 ' HB3' ' A' ' 53' ' ' LEU . 60.8 mtt85 -92.61 61.9 3.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.361 0.601 . . . . 1.0 109.897 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -55.89 -39.35 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.327 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.0 pt-20 -66.66 -51.18 59.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 15.8 tt0 -63.07 -42.31 99.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.264 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.46 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.327 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.0 t -58.64 -35.52 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.8 -38.55 78.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.868 -0.52 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 m -66.4 -52.0 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.473 0.483 . . . . 1.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -59.56 -43.43 93.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.505 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ASN . 7.0 m120 -62.87 -38.49 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.5 -0.48 . . . . 1.0 110.375 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.407 ' CE2' HG13 ' A' ' 69' ' ' VAL . 69.3 t80 -58.58 -45.07 89.84 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.346 1.029 . . . . 1.0 109.811 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.436 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 80.1 t -66.76 -42.41 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 123.287 0.367 . . . . 1.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.26 -23.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.38 0.609 . . . . 1.0 110.375 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 64' ' ' ASN . 49.3 t30 -84.73 -74.99 0.37 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 70' ' ' ILE . 1.6 p -50.59 -43.71 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 124.367 1.042 . . . . 1.0 110.469 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.503 ' CG2' ' H ' ' A' ' 72' ' ' ASP . 5.4 mt -102.38 132.5 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.584 1.183 . . . . 1.0 109.331 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -95.26 27.03 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.463 -0.773 . . . . 1.0 110.587 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 74' ' ' TYR . 81.6 m-20 -82.82 43.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.679 -0.638 . . . . 1.0 110.076 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.53 73.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.01 0.433 . . . . 1.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.551 ' N ' ' O ' ' A' ' 72' ' ' ASP . 65.8 t80 -166.89 30.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.541 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -106.72 106.71 17.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.355 1.074 . . . . 1.0 110.076 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.07 -38.73 92.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.434 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.52 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.561 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.56 -47.31 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -58.6 -44.02 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 1.0 110.309 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -38.07 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.161 -0.337 . . . . 1.0 110.631 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.24 78.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HZ3' HD22 ' A' ' 64' ' ' ASN . 0.1 OUTLIER -61.45 -45.06 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.167 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.79 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -52.47 -41.68 63.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.168 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.06 89.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 1.0 110.492 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -72.97 -29.21 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.626 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.76 -17.16 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.028 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -129.15 53.22 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 91' ' ' GLY . 17.5 tt -126.8 132.67 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.104 0.478 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 56.98 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 1.0 110.446 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -145.16 -89.97 0.1 Allowed Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -162.63 73.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 1.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 43.7 mp0 -84.26 163.51 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.276 0.56 . . . . 1.0 110.753 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.57 -10.33 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.54 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.05 -49.78 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 1.0 110.432 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.48 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.772 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.24 -44.87 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.942 0.401 . . . . 1.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.54 -44.91 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.08 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.11 79.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.88 -45.79 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.937 0.773 . . . . 1.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.71 95.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.775 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -62.88 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 1.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.37 -28.07 60.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 1.0 110.878 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -95.9 -0.98 50.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.487 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.36 105.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.308 0.575 . . . . 1.0 109.708 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -98.0 142.5 29.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.154 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -84.3 168.31 15.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 1.0 110.118 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -65.72 144.19 57.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 1.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -124.03 133.45 53.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.392 0.615 . . . . 1.0 110.656 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -149.76 146.39 27.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.446 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -86.88 156.29 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.619 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.414 ' OXT' ' CG ' ' A' ' 112' ' ' HIS . 84.7 t60 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.179 -0.674 . . . . 1.0 109.179 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.89 -44.44 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -147.9 -142.47 0.13 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.903 0.382 . . . . 1.0 110.586 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 3.6 mp0 -62.48 -39.09 92.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.923 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' GLU . 4.7 t-20 52.02 79.89 0.32 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.203 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.14 34.67 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.373 2.048 . . . . 1.0 111.799 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' ASN . 81.7 tt0 -58.55 -18.08 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.193 -0.942 . . . . 1.0 110.721 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.76 -37.61 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.409 0.623 . . . . 1.0 110.701 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.41 -16.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -56.68 -12.16 1.71 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.676 -0.64 . . . . 1.0 110.13 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -43.93 -21.99 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.357 -0.839 . . . . 1.0 110.801 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE2' ' CE1' ' A' ' 29' ' ' PHE . 19.2 pt-20 -54.41 -49.46 69.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.857 1.348 . . . . 1.0 110.479 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -36.08 -37.54 0.18 Allowed Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.717 1.26 . . . . 1.0 110.986 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -54.41 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.497 -0.413 . . . . 1.0 110.631 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 19' ' ' ALA . 69.0 mt -43.51 -63.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.439 -0.163 . . . . 1.0 110.608 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 22' ' ' TYR . 60.4 tp60 -47.24 -54.83 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.498 -0.481 . . . . 1.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -50.39 -61.33 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.591 -0.693 . . . . 1.0 111.052 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.3 -72.43 0.33 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.493 0.663 . . . . 1.0 110.658 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -88.45 86.72 7.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.563 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.23 80.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.482 -0.647 . . . . 1.0 111.482 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' ALA . 1.3 m-20 -127.43 58.87 1.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.805 0.336 . . . . 1.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 m-85 -42.54 -39.51 2.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.326 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -59.83 -48.84 80.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.427 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -56.54 -46.31 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.668 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -50.9 -26.78 6.31 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.656 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 1.6 tp -57.99 -44.53 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.297 0.57 . . . . 1.0 110.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 92.1 m-20 -55.1 -44.84 75.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.313 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -67.6 -43.56 80.18 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.158 0.911 . . . . 1.0 110.563 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' OE2' ' A' ' 12' ' ' GLU . 37.6 m-85 -59.33 -48.55 81.19 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.046 -0.661 . . . . 1.0 110.384 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -55.35 -40.73 71.6 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.593 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -63.02 -46.01 89.64 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.163 -0.615 . . . . 1.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.42 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.515 -0.474 . . . . 1.0 110.701 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.62 -48.16 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.675 0.609 . . . . 1.0 109.896 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -56.17 -38.33 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.085 -0.384 . . . . 1.0 110.531 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.27 -47.12 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.873 0.733 . . . . 1.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -170.62 109.46 0.43 Allowed Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.402 -0.809 . . . . 1.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.97 117.8 2.62 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 121.21 1.274 . . . . 1.0 111.931 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -175.22 -14.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.11 0.481 . . . . 1.0 110.988 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' ' CE2' ' A' ' 43' ' ' TRP . 72.9 mt-10 -92.67 97.45 10.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.869 0.366 . . . . 1.0 110.549 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -65.0 -44.36 89.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.426 0.632 . . . . 1.0 111.251 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -51.28 -31.05 19.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 1.0 110.39 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -78.62 -36.76 43.67 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.398 -0.814 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CE2' ' O ' ' A' ' 39' ' ' GLU . 1.4 m95 -76.08 -27.61 57.25 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.29 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.21 -40.97 87.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.023 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 mmt -66.5 -36.89 83.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.441 0.463 . . . . 1.0 110.827 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -58.0 -48.65 79.37 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.923 1.389 . . . . 1.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.06 69.6 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.61 -28.68 70.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.809 0.338 . . . . 1.0 110.605 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.48 -50.34 53.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.0 mt -63.99 -43.49 95.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.192 -0.913 . . . . 1.0 110.682 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -58.6 -50.61 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.77 -25.88 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.999 -0.281 . . . . 1.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.63 16.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.504 0.503 . . . . 1.0 110.563 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 74.65 8.44 4.33 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.42 0.688 . . . . 1.0 110.458 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -102.74 89.24 3.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.267 0.556 . . . . 1.0 109.993 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.58 -35.97 57.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.789 0.804 . . . . 1.0 110.237 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.49 -47.94 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.163 -0.926 . . . . 1.0 111.066 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.31 -45.69 86.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.504 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.57 -44.28 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.669 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.0 -36.81 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.16 -35.93 74.39 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.789 -0.569 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.77 -49.64 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.392 0.433 . . . . 1.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 63' ' ' TYR . 1.6 t80 -50.35 -45.51 55.15 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.52 -0.472 . . . . 1.0 109.94 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 32.6 m120 -60.42 -29.69 69.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -57.48 -49.35 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.459 1.1 . . . . 1.0 109.895 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.0 t -65.91 -45.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.756 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.51 -26.48 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.018 0.437 . . . . 1.0 110.164 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASN . 21.4 t-20 -87.76 -69.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.644 -0.253 . . . . 1.0 110.951 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.2 t -52.88 -48.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 124.349 1.031 . . . . 1.0 110.556 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 66' ' ' VAL . 48.5 mt -105.82 121.76 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.498 0.666 . . . . 1.0 109.587 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' GLU . 82.9 tt0 -59.49 -28.74 67.3 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.528 -0.732 . . . . 1.0 110.639 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -50.13 87.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.752 -0.592 . . . . 1.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.9 pp20? -101.0 -3.29 29.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.234 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 59.3 t80 -85.05 45.17 1.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.199 0.523 . . . . 1.0 110.656 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -105.75 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.492 1.139 . . . . 1.0 110.162 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HZ3' ' HH ' ' A' ' 74' ' ' TYR . 63.9 mttp -62.54 -35.57 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.643 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -69.59 -47.53 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.6 -51.56 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.677 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.418 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 15.7 m95 -59.18 -42.7 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 1.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.44 89.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.19 -0.319 . . . . 1.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.13 97.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.06 -40.42 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.513 . . . . 1.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.15 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.687 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -56.2 -42.22 76.81 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.397 0.436 . . . . 1.0 109.982 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.86 94.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 1.0 110.595 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.562 ' C ' ' H ' ' A' ' 88' ' ' TYR . 80.8 mt -67.24 -21.14 65.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 64.2 ttt-85 -73.67 25.93 0.07 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.407 -0.517 . . . . 1.0 110.534 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.562 ' H ' ' C ' ' A' ' 86' ' ' LEU . 91.1 m-85 -158.51 27.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.461 0.476 . . . . 1.0 110.723 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.62 138.12 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.104 0.478 . . . . 1.0 110.271 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.72 154.86 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.113 0.482 . . . . 1.0 110.311 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.68 172.71 31.51 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 93' ' ' GLU . 56.8 mtpt -72.95 145.59 46.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 1.0 110.428 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 92' ' ' LYS . 81.2 tt0 57.99 152.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.16 92.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.87 -47.6 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.68 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -75.0 -42.41 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.43 . . . . 1.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.41 -47.53 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.108 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.61 73.08 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.355 -0.538 . . . . 1.0 111.105 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -58.63 -46.67 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.989 0.805 . . . . 1.0 110.117 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -68.03 -44.62 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.2 -37.29 79.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.611 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.6 97.49 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.235 -0.291 . . . . 1.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -93.14 -14.12 27.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ALA . 35.3 tp -103.77 114.47 28.76 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.483 0.659 . . . . 1.0 109.991 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 74' ' ' TYR . 97.8 mt-10 -145.9 -13.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.41 170.05 17.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.4 . . . . 1.0 110.201 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -76.85 144.84 38.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 1.0 110.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -67.39 -39.65 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.762 0.315 . . . . 1.0 110.539 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -71.02 118.11 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.452 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -67.64 -40.68 84.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.656 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.125 -0.695 . . . . 1.0 109.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.4 -28.85 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 1.0 110.374 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -136.51 106.07 6.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.322 0.582 . . . . 1.0 109.91 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.621 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -88.48 -32.86 0.4 Allowed Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 115.71 -0.677 . . . . 1.0 112.352 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 5' ' ' ASN . 54.8 Cg_endo -83.59 53.61 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 121.834 1.689 . . . . 1.0 112.187 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.63 -44.58 56.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.222 -0.924 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.48 -33.86 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 1.0 110.795 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 4.4 m-30 -52.19 -22.48 4.37 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.237 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.1 p90 -50.47 -20.74 1.22 Allowed 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.599 -0.688 . . . . 1.0 110.172 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -43.48 -24.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.443 -0.785 . . . . 1.0 110.864 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -56.02 -52.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.783 1.302 . . . . 1.0 110.94 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -32.46 -35.09 0.02 OUTLIER Glycine 0 N--CA 1.475 1.246 0 O-C-N 124.752 1.283 . . . . 1.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.7 t -75.19 -51.05 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.6 -0.353 . . . . 1.0 110.747 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLU . 90.8 mt -43.61 -67.74 0.25 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 122.358 -0.214 . . . . 1.0 110.53 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.64 -56.71 6.63 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.081 -0.341 . . . . 1.0 110.081 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.1 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.681 -0.637 . . . . 1.0 110.738 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -75.49 -78.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.505 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.81 103.53 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.35 0.595 . . . . 1.0 110.47 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.44 73.91 0.15 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -138.45 61.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.608 -0.348 . . . . 1.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -43.3 -35.26 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.39 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.3 m -60.48 -49.51 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.079 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -55.93 -43.96 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 p -52.74 -24.83 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 1.0 110.714 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 27' ' ' ASP . 8.2 tt -58.44 -41.69 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.505 0.669 . . . . 1.0 110.647 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 94.1 m-20 -57.85 -43.28 85.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.917 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -68.47 -44.9 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.097 0.873 . . . . 1.0 110.673 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -59.38 -47.96 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.706 -0.798 . . . . 1.0 110.466 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.98 -39.17 71.44 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.443 -0.503 . . . . 1.0 110.647 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -58.61 -43.7 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.29 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.221 -0.591 . . . . 1.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -60.46 -44.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.065 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -54.78 -46.59 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.115 -0.366 . . . . 1.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.38 -42.64 78.83 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.755 0.66 . . . . 1.0 110.599 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -140.66 93.3 8.64 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.796 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -87.61 54.72 2.67 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.378 1.385 . . . . 1.0 112.119 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -153.99 35.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 1.0 110.15 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -125.72 112.7 16.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.232 0.539 . . . . 1.0 110.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -68.49 -45.79 71.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.063 0.459 . . . . 1.0 110.989 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -50.3 -37.13 34.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 1.0 110.012 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.07 -35.67 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 1.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -75.52 -34.57 60.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.8 tt -58.7 -39.72 81.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.364 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.454 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -66.19 -39.95 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.927 -0.709 . . . . 1.0 110.89 -179.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.28 -46.45 79.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.9 1.375 . . . . 1.0 110.653 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.24 -47.69 73.18 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.159 -0.777 . . . . 1.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -61.18 -33.55 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.946 -0.301 . . . . 1.0 110.54 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.67 -50.01 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.799 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 62' ' ' CYS . 46.3 mt -64.44 -40.28 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.72 -51.16 70.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.335 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -62.36 -24.76 67.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.238 -0.289 . . . . 1.0 110.617 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.55 14.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.64 0.588 . . . . 1.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 72.8 7.48 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.372 0.669 . . . . 1.0 110.288 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -93.36 65.26 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 1.0 110.082 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.069 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 9.6 pt-20 -67.55 -51.35 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 41.4 tt0 -59.95 -43.69 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.414 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.73 95.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.429 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.9 t -58.19 -42.19 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.95 -35.08 75.82 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.792 -0.568 . . . . 1.0 110.348 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 50' ' ' LEU . 85.0 m -69.93 -52.63 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.429 0.456 . . . . 1.0 110.529 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.37 -41.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.043 -0.663 . . . . 1.0 110.751 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' ASN . 42.2 t30 -62.1 -33.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.593 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -56.58 -43.75 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.455 1.097 . . . . 1.0 110.07 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.33 -44.1 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.96 -25.42 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.141 0.496 . . . . 1.0 109.873 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ASN . 27.5 t-20 -87.76 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.53 -0.305 . . . . 1.0 111.079 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.2 t -51.07 -45.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 124.399 1.062 . . . . 1.0 110.396 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 ' C ' ' H ' ' A' ' 72' ' ' ASP . 28.1 mt -107.3 120.73 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 1.0 109.747 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 73' ' ' GLU . 80.6 mm-40 -74.82 18.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.471 -0.768 . . . . 1.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t0 -71.46 41.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.763 -0.586 . . . . 1.0 110.403 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 71' ' ' GLU . 76.9 tt0 -61.28 72.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.165 0.507 . . . . 1.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 74' ' ' TYR . 69.7 t80 -168.04 34.01 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -108.3 108.52 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.951 0.881 . . . . 1.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.54 -36.59 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.87 -0.519 . . . . 1.0 110.79 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -62.75 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -64.92 -46.77 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.464 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 36.0 m0 -60.67 -45.11 95.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 1.0 110.229 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.51 98.76 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.271 -0.268 . . . . 1.0 110.866 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.798 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -61.29 -42.09 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.413 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.65 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.389 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.08 -41.6 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.112 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.46 93.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.409 . . . . 1.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 88' ' ' TYR . 96.0 mt -65.69 -41.14 92.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -55.91 -5.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 86' ' ' LEU . 84.3 m-85 -143.16 55.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.159 0.504 . . . . 1.0 110.749 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.6 tt -129.07 139.86 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.14 0.495 . . . . 1.0 110.62 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -59.07 142.6 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 1.0 110.752 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.12 61.63 3.39 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.66 101.79 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.304 0.574 . . . . 1.0 110.046 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -112.73 72.35 0.77 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.201 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t 54.83 7.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.531 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.494 ' H ' ' C ' ' A' ' 93' ' ' GLU . 76.3 mt-10 -66.53 -48.02 71.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.928 0.394 . . . . 1.0 110.387 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.92 77.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.28 -47.26 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.88 -43.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.133 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.8 75.39 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.965 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.23 -47.67 82.81 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.965 0.791 . . . . 1.0 110.727 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.32 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.762 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -64.42 -41.34 96.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.452 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.89 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 1.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -66.79 -43.63 83.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.643 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.32 99.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.261 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -71.98 -39.62 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 108' ' ' HIS . 58.5 t-80 -165.3 164.91 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 1.0 109.922 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 107' ' ' HIS . 39.9 p-80 -150.93 121.47 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.045 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -67.69 -40.86 84.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 1.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 76.0 t60 -157.44 47.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 80.8 m80 50.15 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.505 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 tpp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.108 -0.701 . . . . 1.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.21 -37.88 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.623 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.149 0.5 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -125.28 11.57 8.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.086 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.39 99.07 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.751 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.15 30.94 0.44 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 121.647 1.564 . . . . 1.0 112.215 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.17 -16.17 63.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.13 -0.981 . . . . 1.0 110.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -72.83 -32.74 65.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.345 0.403 . . . . 1.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.899 0.38 . . . . 1.0 110.462 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -49.52 -16.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 1.0 110.446 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -41.63 -22.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.503 -0.748 . . . . 1.0 110.776 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.4 pt-20 -58.7 -48.92 79.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 124.812 1.32 . . . . 1.0 110.616 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -38.18 -40.52 0.88 Allowed Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.783 1.302 . . . . 1.0 110.908 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.75 -58.36 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.974 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.0 mt -43.54 -64.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.283 -0.266 . . . . 1.0 110.283 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' ALA . 9.6 tp-100 -49.49 -54.92 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.206 -0.294 . . . . 1.0 110.206 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.58 -61.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.624 -0.672 . . . . 1.0 110.757 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -66.47 -67.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 1.0 110.444 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -103.0 -128.27 0.23 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.99 -92.6 0.75 Allowed Glycine 0 N--CA 1.471 0.999 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 57.04 37.4 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.599 -0.354 . . . . 1.0 110.352 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.524 ' CD2' ' N ' ' A' ' 23' ' ' THR . 10.5 p90 -64.62 -54.03 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.645 0.591 . . . . 1.0 110.413 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.524 ' N ' ' CD2' ' A' ' 22' ' ' TYR . 99.5 m -64.53 -42.87 95.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.626 0.579 . . . . 1.0 110.268 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.05 -44.75 94.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.893 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 71.4 p -53.23 -28.11 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.297 0.57 . . . . 1.0 110.785 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 tt -52.33 -35.22 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 1.0 110.492 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.489 ' CG ' ' HZ3' ' A' ' 31' ' ' LYS . 27.1 t70 -65.85 -49.64 67.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.51 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.4 mm? -60.42 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.123 -0.944 . . . . 1.0 110.633 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.55 -47.43 83.88 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.563 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 29' ' ' PHE . 80.6 tt0 -51.85 -38.65 56.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.676 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HZ3' ' CG ' ' A' ' 27' ' ' ASP . 59.5 mttp -66.67 -40.14 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.816 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.65 70.99 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.1 -36.18 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.232 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.76 -41.67 87.09 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.103 -0.373 . . . . 1.0 110.515 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.0 -40.2 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.492 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -146.25 99.88 4.2 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.896 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.63 83.92 1.33 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.211 1.274 . . . . 1.0 111.529 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -175.06 -9.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.505 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -71.14 97.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.206 0.527 . . . . 1.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -63.76 -46.28 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.935 0.398 . . . . 1.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -49.42 -30.58 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 1.0 110.178 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.04 -36.73 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.416 -0.802 . . . . 1.0 110.604 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -67.14 -30.95 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.376 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.62 -41.83 67.1 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.564 -0.743 . . . . 1.0 110.715 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.6 mmm -63.55 -40.79 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.892 -0.723 . . . . 1.0 110.352 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -50.92 -58.86 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.893 1.371 . . . . 1.0 110.921 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.98 59.85 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -56.25 -39.33 72.42 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.568 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.43 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 1.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.41 -41.52 97.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.27 -49.52 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.491 . . . . 1.0 110.496 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.47 -30.57 71.35 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 25.5 mt -74.09 1.78 10.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 123.693 0.621 . . . . 1.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 80.19 22.81 0.44 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.669 0.388 . . . . 1.0 110.852 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -109.59 70.81 0.74 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.269 0.556 . . . . 1.0 109.727 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.65 -40.39 79.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.861 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.69 -51.29 67.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.729 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -65.98 -38.37 88.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.406 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.97 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.773 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.79 -43.22 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -63.76 -38.57 91.61 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.801 -0.562 . . . . 1.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 t -71.08 -52.1 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.395 0.435 . . . . 1.0 110.367 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -50.4 -41.65 52.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.215 -0.594 . . . . 1.0 110.178 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.3 t30 -59.04 -24.09 62.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.629 -0.428 . . . . 1.0 110.223 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -59.48 -45.43 91.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.409 1.068 . . . . 1.0 109.894 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.1 t -67.18 -46.49 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 123.32 0.388 . . . . 1.0 110.683 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.467 ' N ' ' CD1' ' A' ' 67' ' ' ILE . 1.6 mp -67.29 -38.62 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.165 0.507 . . . . 1.0 110.204 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -75.21 -71.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.96 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -49.08 -46.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.331 1.019 . . . . 1.0 110.627 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 72' ' ' ASP . 57.5 mt -113.1 130.46 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.795 0.807 . . . . 1.0 109.747 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' A' ' 73' ' ' GLU . 26.2 tp10 -78.24 24.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.434 -0.791 . . . . 1.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 74' ' ' TYR . 32.8 p-10 -74.94 23.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.657 -0.652 . . . . 1.0 110.512 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 71' ' ' GLU . 83.7 tt0 -56.14 79.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 87.1 t80 -168.08 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -43.6 112.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.975 0.893 . . . . 1.0 110.494 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -61.44 -36.8 81.4 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.832 -0.542 . . . . 1.0 110.417 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.78 -46.94 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.778 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.49 -49.47 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.371 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.46 -47.8 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 1.0 110.196 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.72 90.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.198 -0.314 . . . . 1.0 110.671 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.87 88.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.69 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.473 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -50.35 -41.7 51.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.226 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.49 95.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 1.0 110.544 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.87 -19.52 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.51 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.89 -11.04 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.25 47.81 2.38 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.605 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.0 tt -129.65 140.87 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.121 0.486 . . . . 1.0 110.412 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -59.93 122.03 13.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.445 0.64 . . . . 1.0 110.477 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.38 -174.29 38.32 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -85.65 26.55 0.94 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.808 0.337 . . . . 1.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 55.54 40.78 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 1.0 110.756 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -127.98 -34.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.159 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.97 -51.75 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 1.0 110.638 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.69 -52.03 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.212 -0.595 . . . . 1.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.8 -43.09 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.17 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.72 -55.09 37.4 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.862 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.68 -39.09 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.04 0.837 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -48.29 53.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 1.0 110.736 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.13 -39.69 90.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.657 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.79 78.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 1.0 111.158 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.08 -46.72 41.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.681 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 tt -65.65 94.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.036 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -137.88 -50.14 0.59 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.466 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -163.39 -173.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 1.0 110.165 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -72.28 135.22 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 1.0 110.115 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -156.23 -55.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -75.87 127.48 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -74.59 135.94 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.555 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.434 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.29 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.508 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.62 100.16 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.067 0.46 . . . . 1.0 110.516 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -66.42 -39.77 89.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.982 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.558 ' N ' HD21 ' A' ' 5' ' ' ASN . 0.0 OUTLIER -151.03 155.02 34.83 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.571 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -56.33 -80.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.109 1.873 . . . . 1.0 112.299 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 68.27 -48.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.145 -0.972 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -77.05 -36.74 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.27 0.557 . . . . 1.0 110.904 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -53.78 -13.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.26 -10.21 1.89 Allowed 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.63 -0.669 . . . . 1.0 110.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -46.84 -26.67 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.472 -0.767 . . . . 1.0 110.765 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' VAL . 15.4 tm-20 -52.51 -51.49 59.23 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 124.75 1.281 . . . . 1.0 110.827 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -34.62 -32.58 0.02 OUTLIER Glycine 0 N--CA 1.472 1.099 0 O-C-N 124.784 1.303 . . . . 1.0 111.19 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLU . 40.9 t -80.96 -51.81 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 O-C-N 122.467 -0.431 . . . . 1.0 110.618 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.9 mt -44.43 -67.72 0.26 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 22' ' ' TYR . 26.7 tp60 -47.06 -53.15 13.31 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.282 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.65 -61.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.64 -0.663 . . . . 1.0 110.728 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -76.38 -75.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.633 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.89 112.81 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.638 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.23 59.64 4.55 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.7 p30 -121.1 59.07 0.95 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.514 -0.404 . . . . 1.0 110.399 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 90.7 m-85 -39.02 -38.73 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.343 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -55.03 -49.73 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.621 0.575 . . . . 1.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.65 -45.09 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.937 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -50.45 -36.87 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 1.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.85 -44.18 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 O-C-N 122.015 -0.428 . . . . 1.0 110.213 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.039 -0.664 . . . . 1.0 110.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 3.4 tm? -69.56 -43.23 73.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.063 0.852 . . . . 1.0 110.92 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.96 -45.31 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.777 -0.769 . . . . 1.0 110.398 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.97 -35.38 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.502 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.25 -47.1 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.72 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.63 -52.14 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.879 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.14 -42.36 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.164 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -51.95 -35.74 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.116 -0.365 . . . . 1.0 110.439 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.43 -40.08 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.611 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -165.43 114.46 0.83 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.94 -0.552 . . . . 1.0 110.733 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.53 ' C ' ' H ' ' A' ' 39' ' ' GLU . 66.1 Cg_endo -82.78 -10.33 10.64 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 121.122 1.215 . . . . 1.0 112.078 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -70.46 37.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.42 . . . . 1.0 110.679 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.53 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.7 mt-10 -130.27 99.43 5.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.22 0.533 . . . . 1.0 110.21 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -66.88 -45.32 78.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 1.0 110.891 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' O ' ' SD ' ' A' ' 45' ' ' MET . 25.8 mtmm -48.88 -32.35 8.74 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -77.48 -33.17 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.407 -0.808 . . . . 1.0 110.479 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -78.15 -39.29 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.441 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -67.9 -38.89 83.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.843 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -57.36 -46.28 83.5 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.903 1.377 . . . . 1.0 110.494 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.1 -43.81 56.48 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.43 -34.17 74.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 1.0 110.478 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.24 61.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.919 0.39 . . . . 1.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.53 -43.03 95.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.664 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -57.52 -50.16 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.342 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.81 -24.3 66.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 121.005 -0.278 . . . . 1.0 110.603 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.5 mt -81.26 15.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.632 0.583 . . . . 1.0 110.939 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 71.32 7.09 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.558 0.743 . . . . 1.0 110.383 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -91.92 60.07 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 1.0 110.095 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.54 -37.83 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.419 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.83 -51.28 50.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.28 -42.75 99.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.441 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.9 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.75 -36.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.946 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -60.04 -36.66 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.775 -0.578 . . . . 1.0 110.484 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.2 m -69.14 -50.49 47.43 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.386 0.429 . . . . 1.0 110.638 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -59.3 -43.26 92.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.03 -36.47 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.786 -0.365 . . . . 1.0 110.595 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -59.22 -44.27 92.29 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.448 1.092 . . . . 1.0 109.94 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.65 -34.01 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 O-C-N 123.276 0.36 . . . . 1.0 110.467 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.5 mt -81.43 -22.05 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 1.0 110.184 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -80.71 -79.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.305 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG21 ' H ' ' A' ' 70' ' ' ILE . 4.8 m -46.64 -40.42 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 124.305 1.003 . . . . 1.0 110.46 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.575 ' C ' ' H ' ' A' ' 72' ' ' ASP . 52.5 mt -107.59 115.65 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 122.065 0.936 . . . . 1.0 109.461 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -70.02 27.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.466 -0.771 . . . . 1.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' A' ' 70' ' ' ILE . 21.7 t0 -46.75 -56.96 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.783 -0.573 . . . . 1.0 110.414 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASP . 96.4 mt-10 32.18 42.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.369 0.604 . . . . 1.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -152.22 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.799 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.407 ' C ' HD21 ' A' ' 75' ' ' ASN . 0.3 OUTLIER -52.19 110.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.279 1.038 . . . . 1.0 110.262 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -65.0 -37.99 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.555 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.61 -40.89 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.549 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.57 -46.58 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.483 ' CZ3' ' NH2' ' A' ' 102' ' ' ARG . 71.2 m95 -64.97 -47.07 78.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 1.0 110.338 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.227 -0.296 . . . . 1.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.82 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -61.54 -36.12 79.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.216 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.83 -47.87 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.575 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.9 -42.34 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.3 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.9 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 1.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.469 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -66.84 -20.09 65.86 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -130.04 58.15 1.67 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.744 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' GLY . 17.9 tt -127.37 136.02 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.087 0.47 . . . . 1.0 110.416 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 56.02 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 1.0 110.508 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -179.56 127.38 1.12 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm 45.89 -103.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.703 -0.293 . . . . 1.0 110.496 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 66.9 139.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.538 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -84.27 -3.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.265 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.38 -48.34 80.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.848 0.356 . . . . 1.0 110.619 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.26 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.881 -0.328 . . . . 1.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -67.61 -46.62 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.101 0.477 . . . . 1.0 110.575 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.08 -44.68 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.144 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.46 72.03 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.738 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -58.89 -46.37 87.99 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.0 0.812 . . . . 1.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.06 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 1.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' NH2' ' CZ3' ' A' ' 79' ' ' TRP . 57.6 ttp180 -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 1.0 110.58 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.78 79.11 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.187 -0.321 . . . . 1.0 111.029 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -67.55 -44.05 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 1.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 tp 50.37 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.181 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -64.64 146.32 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.63 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -58.79 154.44 14.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.209 0.528 . . . . 1.0 110.296 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.536 ' CE1' ' HD1' ' A' ' 109' ' ' HIS . 0.0 OUTLIER -156.4 -171.22 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.087 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.536 ' HD1' ' CE1' ' A' ' 108' ' ' HIS . 41.4 m80 54.06 -113.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 1.0 110.551 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 41.9 p-80 -91.46 115.28 27.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 1.0 110.452 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.663 ' H ' ' HD1' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -86.09 158.7 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.483 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.558 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.482 0.84 0 CA-C-O 120.822 0.259 . . . . 1.0 112.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -75.24 -46.57 32.93 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.167 -0.958 . . . . 1.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 40.2 mp0 -74.0 -33.7 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 1.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 11' ' ' LEU . 27.6 m-85 -53.65 -22.4 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.442 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLU . 1.3 p90 -48.94 -14.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.549 0.69 . . . . 1.0 110.464 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' C ' ' A' ' 9' ' ' TYR . 2.1 pp -48.03 -20.27 0.33 Allowed 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 121.447 -0.783 . . . . 1.0 110.51 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' VAL . 13.6 tm-20 -57.55 -54.31 48.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.827 1.329 . . . . 1.0 110.8 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -33.91 -32.59 0.02 OUTLIER Glycine 0 N--CA 1.475 1.245 0 O-C-N 124.735 1.272 . . . . 1.0 111.151 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . 39.1 t -76.65 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 122.458 -0.436 . . . . 1.0 110.582 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 19' ' ' ALA . 86.2 mt -43.94 -65.66 0.48 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 119.649 -0.215 . . . . 1.0 110.432 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.09 -56.08 6.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.571 -0.706 . . . . 1.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.77 -71.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 1.0 110.502 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -68.58 110.02 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 1.0 110.343 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 65.03 2.74 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' GLU . 40.7 t-20 -140.77 63.34 1.46 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.277 0.56 . . . . 1.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.4 -34.23 0.5 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.097 -0.956 . . . . 1.0 110.176 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 26' ' ' ILE . 14.4 m -62.41 -45.77 91.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.581 0.551 . . . . 1.0 110.049 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ASN . 83.9 tt0 -56.41 -45.78 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.179 -0.326 . . . . 1.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.6 p -50.3 -23.02 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.532 . . . . 1.0 110.56 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 23' ' ' THR . 8.7 tt -60.78 -41.93 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.251 0.548 . . . . 1.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 63.0 m-20 -58.54 -47.66 83.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.116 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.3 mm? -68.6 -43.07 77.25 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.092 0.87 . . . . 1.0 110.823 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 65.6 t80 -59.75 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.407 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -53.64 -38.51 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.608 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.55 -45.6 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.91 63.0 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.733 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 51.8 mt -64.5 -41.03 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 123.691 0.619 . . . . 1.0 110.557 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -53.96 -33.19 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.061 -0.399 . . . . 1.0 110.537 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.72 -49.26 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -172.35 112.83 0.38 Allowed Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.854 -0.593 . . . . 1.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.46 124.06 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 121.13 1.22 . . . . 1.0 111.672 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? 176.31 -8.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -96.67 108.42 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.201 0.524 . . . . 1.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -67.2 -46.65 73.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.521 . . . . 1.0 111.133 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -47.73 -27.99 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.281 0.562 . . . . 1.0 110.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.06 -33.73 57.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.321 -0.862 . . . . 1.0 110.22 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -73.18 -35.36 66.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.024 -0.361 . . . . 1.0 110.024 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -57.66 -39.25 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.462 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.961 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -58.23 -44.49 88.24 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.884 1.365 . . . . 1.0 110.645 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.54 -49.43 60.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -58.77 -34.55 71.56 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.398 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.19 54.02 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.46 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.716 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.28 -50.72 72.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.389 -0.524 . . . . 1.0 110.233 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.97 -27.91 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.268 -0.27 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -77.09 11.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' ' HE ' ' A' ' 55' ' ' ARG . 4.1 tp10 76.07 10.62 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.976 0.511 . . . . 1.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HE ' ' C ' ' A' ' 54' ' ' GLU . 5.0 mmp_? -97.72 68.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.4 m-85 -60.87 -41.21 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.951 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.69 -50.4 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.729 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.601 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.92 75.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.501 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 56' ' ' TYR . 39.9 t -60.01 -38.35 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.9 -34.55 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.786 -0.571 . . . . 1.0 110.467 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.3 m -71.77 -45.27 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 1.0 110.716 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 1.8 t80 -57.87 -46.91 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ASN . 25.4 t-20 -66.75 -34.6 78.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.342 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 58.2 t80 -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.367 1.042 . . . . 1.0 110.425 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.6 -30.67 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.629 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 11.2 mt -89.39 -24.16 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 110.18 -0.304 . . . . 1.0 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.4 t-20 -80.63 -65.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.364 -0.21 . . . . 1.0 110.847 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 96.1 t -60.09 -46.43 94.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.319 1.012 . . . . 1.0 110.425 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' ASP . 58.3 mt -107.74 130.32 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 121.907 0.86 . . . . 1.0 109.671 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 57.5 mp0 -77.0 23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.532 -0.73 . . . . 1.0 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 75' ' ' ASN . 66.9 t0 -76.87 46.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.767 -0.583 . . . . 1.0 110.216 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -77.49 77.82 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.229 0.537 . . . . 1.0 110.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' ' NZ ' ' A' ' 76' ' ' LYS . 73.6 t80 -168.11 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 72' ' ' ASP . 78.6 m-20 -49.36 107.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.132 0.968 . . . . 1.0 110.344 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 60.8 mttp -59.99 -42.97 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.843 -0.536 . . . . 1.0 110.629 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -59.41 -40.5 86.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 -50.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.523 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CH2' ' OH ' ' A' ' 63' ' ' TYR . 59.9 m95 -57.56 -43.32 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 1.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.38 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.268 -0.27 . . . . 1.0 110.75 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.73 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 63' ' ' TYR . 33.3 tttp -57.86 -45.15 86.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.162 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.82 53.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.514 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -56.91 -35.18 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.138 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.32 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 110.74 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 88' ' ' TYR . 10.0 mp -66.09 -35.56 80.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -52.32 -9.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.218 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 86' ' ' LEU . 97.8 m-85 -144.52 62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.099 0.476 . . . . 1.0 110.47 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -129.73 141.23 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.452 0.644 . . . . 1.0 110.345 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 90' ' ' GLU . 58.0 mp0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.44 0.638 . . . . 1.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.5 -0.185 . . . . 1.0 110.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.45 -49.88 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 1.0 110.523 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.84 -34.87 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.46 -47.41 73.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 1.0 110.609 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.1 mt -58.68 -41.0 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.22 70.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.27 -44.92 76.09 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.989 0.805 . . . . 1.0 110.624 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.26 79.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 1.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -62.67 -41.42 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.192 0.52 . . . . 1.0 110.734 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.16 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -87.1 18.12 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.674 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.763 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 53.9 Cg_exo . . . . . 0 N--CA 1.496 1.673 0 CA-C-O 121.799 0.666 . . . . 1.0 111.972 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 55.1 tt0 92.6 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.213 -0.929 . . . . 1.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 6' ' ' PRO . 31.6 mp0 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 1.0 110.652 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -57.59 -17.86 16.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 1.0 110.277 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' GLU . 2.2 p90 -50.3 -15.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.432 0.634 . . . . 1.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.84 -20.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.486 -0.759 . . . . 1.0 110.531 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' VAL . 14.0 tm-20 -60.86 -53.9 51.69 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.8 1.313 . . . . 1.0 111.112 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.5 -31.57 0.03 OUTLIER Glycine 0 N--CA 1.47 0.924 0 O-C-N 124.721 1.263 . . . . 1.0 110.823 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLU . 28.8 t -74.67 -54.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.489 -0.418 . . . . 1.0 110.755 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -42.31 -67.5 0.26 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 122.401 -0.187 . . . . 1.0 110.509 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 17' ' ' TYR . 2.9 pt20 -49.82 -52.34 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' H ' ' HG3' ' A' ' 16' ' ' GLN . 2.9 m-85 -53.51 -65.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.634 -0.666 . . . . 1.0 110.872 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.55 -70.69 0.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.032 -0.358 . . . . 1.0 110.032 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' GLN . . . -103.41 -120.99 0.19 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.447 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.82 -93.33 0.39 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.47 38.49 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.624 -0.339 . . . . 1.0 110.221 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -64.86 -53.95 38.61 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.624 0.578 . . . . 1.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -66.52 -44.1 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 83.2 tt0 -63.46 -43.64 96.79 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.179 -0.325 . . . . 1.0 110.763 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -53.07 -24.93 11.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 1.0 110.569 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -45.85 -28.72 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 121.983 -0.448 . . . . 1.0 110.188 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' OD1' ' O ' ' A' ' 24' ' ' GLU . 34.5 p-10 -68.28 -48.44 64.98 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.68 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 4.4 mm? -54.54 -54.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.891 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.87 -45.43 92.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.335 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -53.55 -37.96 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.65 -44.42 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.8 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.908 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.69 -32.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.386 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.49 -32.68 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.081 -0.387 . . . . 1.0 110.593 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.91 -38.57 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.881 0.738 . . . . 1.0 110.52 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -163.05 96.85 1.07 Allowed Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -82.05 55.78 5.57 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 121.11 1.206 . . . . 1.0 112.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -130.88 -14.44 3.52 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.676 0.39 . . . . 1.0 110.311 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.96 93.25 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 1.0 110.474 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -53.48 -38.42 63.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.715 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.65 -33.39 22.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 1.0 110.208 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -78.12 -38.58 43.58 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.51 -0.743 . . . . 1.0 110.415 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.86 -36.44 70.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.224 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.43 -40.55 74.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.328 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -62.83 -41.44 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 1.0 110.712 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -52.46 -48.7 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 124.939 1.399 . . . . 1.0 110.842 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.51 -48.65 48.48 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.044 -0.823 . . . . 1.0 111.044 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -37.7 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.506 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.29 -51.23 66.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.306 -0.557 . . . . 1.0 110.687 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.89 -42.15 97.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.33 -49.61 74.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.58 -29.82 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.037 -0.265 . . . . 1.0 110.67 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 49' ' ' ALA . 7.4 mp -80.48 9.6 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.642 0.588 . . . . 1.0 110.618 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 58.2 mm-40 73.68 25.45 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.439 . . . . 1.0 110.529 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -108.16 65.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 1.0 110.21 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.55 -38.26 83.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.215 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.43 -52.38 58.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.98 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.2 mp0 -68.41 -38.54 81.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.07 -39.16 63.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.439 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.59 -33.41 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.021 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.27 -38.26 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.874 -0.516 . . . . 1.0 110.602 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -65.84 -51.17 61.11 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.478 0.486 . . . . 1.0 110.537 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.27 -44.83 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -60.7 -40.47 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.517 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 28.6 t80 -60.39 -45.77 92.36 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.443 1.089 . . . . 1.0 110.176 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.05 -44.29 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.455 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -68.6 -38.54 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 1.0 110.187 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -74.79 -69.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.17 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.763 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 88.1 t -48.97 -47.04 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 124.361 1.038 . . . . 1.0 110.659 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 72' ' ' ASP . 35.3 mt -105.24 117.04 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.778 0.799 . . . . 1.0 109.656 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.13 26.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.497 -0.752 . . . . 1.0 110.529 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' ILE . 5.9 t70 -52.4 -53.29 47.04 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.691 -0.631 . . . . 1.0 110.539 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' ASP . 68.3 tt0 30.45 49.51 0.07 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.327 0.584 . . . . 1.0 111.025 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 66.0 t80 -164.44 22.95 0.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.358 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -101.48 106.25 17.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 122.312 1.053 . . . . 1.0 109.776 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.74 -37.1 82.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.69 -46.0 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.538 ' CD2' ' NH1' ' A' ' 102' ' ' ARG . 41.2 m0 -59.82 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.23 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.15 87.56 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.201 -0.312 . . . . 1.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.05 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.463 0.477 . . . . 1.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.07 -43.44 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.55 52.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -50.58 -37.11 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.181 0.515 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 86' ' ' LEU . 10.8 mp -72.89 -28.41 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -67.41 -13.62 62.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.945 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.19 60.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -128.81 144.6 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.294 0.568 . . . . 1.0 110.448 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.165 0.507 . . . . 1.0 110.471 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.325 -0.25 . . . . 1.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.93 -51.69 55.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.403 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -25.39 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.703 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -67.09 -49.76 63.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.779 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.7 mp -58.39 -44.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.089 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.82 65.6 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.87 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.016 0.822 . . . . 1.0 110.457 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.86 -46.36 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.824 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 79' ' ' TRP . 71.3 ttp85 -59.73 -41.35 90.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.832 0.349 . . . . 1.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.76 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.131 -0.355 . . . . 1.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.97 -47.79 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.016 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.33 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 CA-C-O 121.161 0.4 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.3 -20.89 66.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.227 -0.921 . . . . 1.0 110.346 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.75 -34.43 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.349 0.406 . . . . 1.0 110.754 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -57.62 -14.92 6.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.647 0.26 . . . . 1.0 110.386 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.6 p90 -54.54 -16.69 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 1.0 110.245 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.0 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.347 -0.845 . . . . 1.0 111.112 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' TYR . 25.5 tp10 -53.9 -50.79 65.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.224 -1.353 . . . . 1.0 110.736 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -35.51 -41.7 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 O-C-N 124.704 1.253 . . . . 1.0 111.0 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.84 -55.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 122.559 -0.377 . . . . 1.0 110.527 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' ALA . 51.9 mt -42.87 -68.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -44.09 -53.91 5.99 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -50.97 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.679 -0.638 . . . . 1.0 111.239 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.67 -73.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.985 0.421 . . . . 1.0 110.645 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -74.29 102.95 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.02 58.43 0.79 Allowed Glycine 0 N--CA 1.459 0.175 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -113.0 60.95 0.64 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.639 -0.33 . . . . 1.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -45.9 -40.47 10.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 17.3 m -56.58 -48.92 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.556 0.535 . . . . 1.0 110.216 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.15 -40.62 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.913 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 p -49.93 -33.43 17.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.509 -0.477 . . . . 1.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.6 mp -58.16 -40.81 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.04 -49.14 78.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.32 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.8 mm? -64.58 -46.17 83.89 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 124.104 0.878 . . . . 1.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.87 -45.64 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.297 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -51.76 -39.84 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.595 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.85 -43.79 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.86 -54.58 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.925 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.414 HG12 ' CD1' ' A' ' 42' ' ' TYR . 50.7 mt -54.65 -35.81 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.06 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -76.18 -33.37 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.043 -0.411 . . . . 1.0 110.364 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -43.24 92.71 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.794 0.684 . . . . 1.0 110.677 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.72 93.56 0.46 Allowed Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -87.67 103.42 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.273 1.316 . . . . 1.0 111.827 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -165.59 45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.14 -0.35 . . . . 1.0 110.195 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.562 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -157.6 99.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 1.0 110.412 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -48.52 -24.98 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 122.361 -0.212 . . . . 1.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -50.87 -42.42 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.024 0.44 . . . . 1.0 110.372 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 2.3 p90 -81.73 -37.52 27.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.315 -0.865 . . . . 1.0 110.033 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.065 -178.578 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 78' ' ' VAL . 5.4 tp -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtp -61.57 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.722 -0.791 . . . . 1.0 110.516 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -49.02 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.945 1.403 . . . . 1.0 111.049 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.73 49.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.171 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -51.04 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.751 -0.379 . . . . 1.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.08 -43.08 99.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.669 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -60.08 -50.11 75.0 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.471 -0.491 . . . . 1.0 110.445 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.52 -29.91 69.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.19 -0.319 . . . . 1.0 110.65 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 52.2 mt -76.25 3.73 10.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.556 0.535 . . . . 1.0 110.761 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 35.4 tt0 79.93 26.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.797 0.439 . . . . 1.0 110.256 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -111.64 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.41 . . . . 1.0 110.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -58.31 -40.44 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.238 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.5 -50.84 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.01 -40.78 91.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.543 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.92 -37.24 63.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.5 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.01 -31.12 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.05 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.77 -37.01 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.697 -0.627 . . . . 1.0 110.325 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.31 -51.71 54.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.499 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.07 -43.65 97.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.86 -41.18 90.9 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.447 -0.501 . . . . 1.0 110.621 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 40.7 t80 -59.18 -41.58 88.79 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.452 1.095 . . . . 1.0 110.084 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 70' ' ' ILE . 76.2 t -68.8 -45.64 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.649 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.75 -39.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.107 0.48 . . . . 1.0 109.994 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.48 -65.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.836 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 93.2 t -55.28 -46.23 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 124.344 1.028 . . . . 1.0 110.268 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 72' ' ' ASP . 45.6 mt -112.88 127.87 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 1.0 109.808 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.58 18.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.512 -0.743 . . . . 1.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 70' ' ' ILE . 86.3 m-20 -78.48 40.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.769 -0.582 . . . . 1.0 110.27 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' NE1' ' A' ' 79' ' ' TRP . 15.7 pt-20 -58.68 -24.46 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.715 -0.221 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -54.44 -29.59 49.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.222 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -46.51 106.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.065 0.936 . . . . 1.0 110.54 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.41 -33.65 76.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.76 -43.72 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.683 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 44' ' ' LEU . 76.8 t -65.06 -44.95 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.52 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 45.2 m95 -64.85 -49.88 68.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.38 83.39 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.225 -0.297 . . . . 1.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.65 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.786 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.63 -36.17 75.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.37 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.24 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.979 -0.288 . . . . 1.0 110.635 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.06 -41.22 59.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.31 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.21 85.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.03 0.443 . . . . 1.0 110.655 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.0 -32.12 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -38.58 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.966 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -112.01 75.18 0.9 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.193 0.521 . . . . 1.0 110.491 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CG1' ' N ' ' A' ' 90' ' ' GLU . 14.4 tt -129.22 168.49 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 123.19 0.596 . . . . 1.0 110.759 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' ' CG1' ' A' ' 89' ' ' ILE . 68.7 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 94' ' ' VAL . 45.6 t . . . . . 0 C--O 1.231 0.104 0 N-CA-C 110.2 -0.296 . . . . 1.0 110.2 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -58.43 -52.33 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.395 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.07 79.3 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.99 -0.284 . . . . 1.0 110.895 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.12 -51.99 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.441 -0.504 . . . . 1.0 110.786 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.88 -40.74 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.76 -53.77 51.5 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.019 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -54.82 -43.51 73.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 124.007 0.817 . . . . 1.0 110.545 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.21 -48.63 64.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.78 -40.76 80.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 1.0 110.664 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.92 83.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -89.4 12.76 15.4 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.615 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 105' ' ' LEU . 1.8 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.38 0.609 . . . . 1.0 109.783 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 CA-C-O 121.26 0.442 . . . . 1.0 111.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.93 -45.39 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.166 -0.959 . . . . 1.0 109.989 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.796 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 15.1 pt-20 -54.94 -27.83 46.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.374 0.421 . . . . 1.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' LEU . 38.5 m-85 -48.48 -7.49 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 O-C-N 122.276 -0.265 . . . . 1.0 111.227 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -54.56 72.63 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.71 -0.619 . . . . 1.0 111.73 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 9' ' ' TYR . 3.5 pp -126.64 -37.89 2.12 Favored 'General case' 0 CA--C 1.482 -1.641 0 CA-C-O 122.871 1.32 . . . . 1.0 111.393 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLY . 58.2 mp0 -51.36 -48.61 62.44 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 112.222 -2.263 . . . . 1.0 109.937 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -30.71 -56.93 0.25 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.714 1.259 . . . . 1.0 111.197 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.8 -54.74 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.147 0.474 . . . . 1.0 110.595 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 19' ' ' ALA . 21.0 mt -43.44 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.442 -0.162 . . . . 1.0 110.814 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -43.38 -60.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.397 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -44.22 -62.57 1.11 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.588 -0.695 . . . . 1.0 110.823 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.08 -80.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.378 0.424 . . . . 1.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.588 ' O ' ' O ' ' A' ' 15' ' ' LEU . . . -104.48 131.72 51.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.428 0.632 . . . . 1.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ALA . . . -33.08 -71.12 0.11 Allowed Glycine 0 N--CA 1.473 1.114 0 O-C-N 121.843 -0.536 . . . . 1.0 112.129 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 49.94 32.68 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.571 -0.37 . . . . 1.0 110.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.26 -50.49 71.53 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.132 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' ILE . 19.0 m -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.508 -0.769 . . . . 1.0 110.278 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -55.94 -36.13 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.245 -0.284 . . . . 1.0 110.737 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -63.87 -24.37 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 1.0 110.504 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 23' ' ' THR . 1.8 tp -57.94 -35.52 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.606 0.717 . . . . 1.0 110.495 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -65.99 -34.97 79.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.05 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -73.1 -47.62 42.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.88 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.56 -43.08 97.67 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.364 -0.534 . . . . 1.0 110.197 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -55.39 -36.83 66.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.659 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -71.92 -41.03 68.37 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.986 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.7 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.319 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.0 mt -66.28 -28.81 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.453 0.644 . . . . 1.0 110.274 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.98 -33.76 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.119 -0.363 . . . . 1.0 110.473 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.61 -47.76 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.799 0.687 . . . . 1.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -175.13 113.16 0.28 Allowed Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 118.621 -0.704 . . . . 1.0 110.634 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 58.6 Cg_endo -83.38 -145.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.088 1.192 . . . . 1.0 111.898 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 43.0 tt0 78.43 32.31 0.33 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.16 0.505 . . . . 1.0 110.714 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 21.2 mt-10 -148.18 90.07 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -49.07 -28.38 4.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.638 0.733 . . . . 1.0 111.141 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.48 -39.56 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.968 -179.112 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 2.1 p90 -78.2 -32.59 50.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.935 0.874 . . . . 1.0 110.211 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.589 ' CD1' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.48 -41.04 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.085 -0.961 . . . . 1.0 109.932 -177.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.12 -43.37 74.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.281 -0.872 . . . . 1.0 109.762 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.14 -46.31 84.67 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.779 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -52.6 -49.77 64.38 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.882 1.364 . . . . 1.0 110.297 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.01 -48.0 53.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.38 -34.44 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.676 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.49 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.742 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD12 ' OE1' ' A' ' 58' ' ' GLU . 4.5 mm? -59.59 -38.91 82.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.14 -49.36 72.45 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 120.139 -0.625 . . . . 1.0 110.578 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.86 -30.5 67.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.781 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -79.67 11.65 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.551 0.532 . . . . 1.0 110.776 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 71.06 27.68 3.27 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.844 0.458 . . . . 1.0 110.546 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -111.56 64.49 0.62 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.441 0.639 . . . . 1.0 110.215 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -56.21 -38.67 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.119 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -51.05 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.993 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.552 ' OE1' HD12 ' A' ' 50' ' ' LEU . 83.9 mt-10 -65.34 -39.33 92.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.38 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.92 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 64' ' ' ASN . 24.6 t -59.57 -41.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.47 -35.49 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.77 -0.581 . . . . 1.0 110.585 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.32 -53.42 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.4 0.438 . . . . 1.0 110.384 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -57.54 -42.86 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.18 -0.608 . . . . 1.0 110.646 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' ND2' HG12 ' A' ' 60' ' ' VAL . 98.4 m-20 -60.03 -34.98 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.291 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 45.4 t80 -58.48 -42.72 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.33 1.019 . . . . 1.0 109.839 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.318 0.386 . . . . 1.0 110.729 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.59 -41.3 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -74.63 -70.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 95.4 t -47.81 -48.19 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 124.31 1.006 . . . . 1.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.604 ' C ' ' H ' ' A' ' 72' ' ' ASP . 76.7 mt -107.06 128.85 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.751 0.786 . . . . 1.0 109.727 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.36 25.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.451 -0.78 . . . . 1.0 110.989 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.2 t0 -46.33 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.776 -0.578 . . . . 1.0 110.564 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 38.49 39.29 0.3 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.991 0.424 . . . . 1.0 110.68 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -146.74 -45.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.573 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -43.8 117.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.456 1.122 . . . . 1.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -25.93 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.667 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.13 -46.67 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.676 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.46 -48.53 84.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.305 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -61.77 -49.61 75.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.204 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.01 83.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.208 -0.307 . . . . 1.0 110.543 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.93 81.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.02 -41.04 91.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.509 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.13 -51.88 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 1.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.39 -42.32 31.52 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.349 0.406 . . . . 1.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.22 94.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 1.0 110.555 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.08 -24.06 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -64.28 -17.78 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.628 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -141.72 72.0 1.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.2 tt -129.43 158.32 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.137 0.494 . . . . 1.0 110.444 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.333 0.587 . . . . 1.0 110.412 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 121.302 0.572 . . . . 1.0 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -70.23 -48.61 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.567 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.91 -22.87 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.99 -49.14 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.558 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.7 mp -57.81 -45.86 87.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.25 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.893 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.92 -45.65 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.001 0.813 . . . . 1.0 110.457 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.98 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 1.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -60.68 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.655 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.25 73.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 1.0 110.93 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -95.69 17.38 15.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.526 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 1.0 109.936 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 N--CA 1.489 1.214 0 CA-C-O 121.089 0.37 . . . . 1.0 112.227 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 76.4 mm-40 -66.68 -17.41 64.83 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.181 -0.949 . . . . 1.0 110.621 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -70.15 -37.05 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.072 0.463 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.68 -24.43 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 1.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.45 -16.75 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.584 -0.697 . . . . 1.0 110.434 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.2 pp -41.2 -23.03 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.441 -0.787 . . . . 1.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -58.35 -49.8 75.91 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 124.81 1.319 . . . . 1.0 110.668 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -37.4 -40.32 0.62 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.766 1.291 . . . . 1.0 110.925 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.85 -57.99 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.7 mt -43.31 -64.09 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.371 -0.233 . . . . 1.0 110.371 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 19' ' ' ALA . 33.8 mt-30 -50.3 -55.12 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.503 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -46.44 -60.23 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.615 -0.678 . . . . 1.0 110.831 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.62 -65.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.975 0.416 . . . . 1.0 110.628 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -98.91 -131.07 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.588 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.15 -94.17 0.92 Allowed Glycine 0 N--CA 1.475 1.244 0 N-CA-C 111.148 -0.781 . . . . 1.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 m120 55.94 34.84 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.625 -0.338 . . . . 1.0 110.172 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' O ' ' OG ' ' A' ' 25' ' ' SER . 97.0 m-85 -63.1 -52.19 63.63 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.629 0.581 . . . . 1.0 110.18 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -64.93 -42.77 94.4 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.7 0.625 . . . . 1.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.44 -43.57 98.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.107 -0.371 . . . . 1.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 41.5 p -53.4 -26.99 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.013 0.435 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -55.25 -36.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.96 -52.98 36.12 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.102 -0.639 . . . . 1.0 110.802 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 3.7 mm? -59.47 -49.42 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.471 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.64 -45.47 92.7 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.272 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -46.48 -36.32 6.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.645 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.4 -35.84 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.373 0.42 . . . . 1.0 110.474 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.93 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.923 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.22 -40.03 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.845 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -65.27 -37.46 87.27 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.097 -0.377 . . . . 1.0 110.574 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.41 -38.62 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.789 0.68 . . . . 1.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -152.53 89.25 3.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.041 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -85.06 -9.0 8.82 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 121.415 1.41 . . . . 1.0 112.054 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.09 -7.81 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 1.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 42' ' ' TYR . 96.6 mt-10 -86.19 112.08 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 1.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 t -64.72 -45.69 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 1.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -51.57 -32.62 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 1.0 110.39 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 m-85 -71.13 -36.6 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.479 -0.763 . . . . 1.0 110.33 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -72.17 -32.67 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.305 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 tp -52.71 -43.36 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.599 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.3 tpt -61.18 -43.55 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.845 -0.742 . . . . 1.0 110.466 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -50.92 -48.28 60.73 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.949 1.406 . . . . 1.0 110.534 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.34 -49.98 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.17 -40.03 80.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.997 -0.281 . . . . 1.0 110.26 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.49 65.92 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.037 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.45 -41.05 93.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.331 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -63.86 -49.01 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.287 0.565 . . . . 1.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.9 -30.67 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.191 -0.318 . . . . 1.0 110.836 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -77.94 7.66 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.598 0.561 . . . . 1.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 72.55 26.18 2.55 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.803 0.441 . . . . 1.0 110.482 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -108.77 68.95 0.7 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.29 0.567 . . . . 1.0 110.199 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 88' ' ' TYR . 5.5 m-85 -57.71 -40.22 79.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.01 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 -50.18 72.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.772 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.8 -38.37 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.392 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.17 82.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.702 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.26 -41.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -57.68 -36.97 72.63 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.693 -0.629 . . . . 1.0 110.545 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.72 -46.21 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.421 0.451 . . . . 1.0 110.373 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -60.28 -47.72 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.441 . . . . 1.0 110.157 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.7 t30 -62.24 -34.24 76.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.278 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.767 ' O ' HG12 ' A' ' 69' ' ' VAL . 86.4 t80 -63.47 -47.08 83.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.351 1.032 . . . . 1.0 109.986 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.63 -31.4 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.523 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 7.0 mt -89.33 -26.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.697 0.284 . . . . 1.0 110.482 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -73.6 -79.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.334 -0.228 . . . . 1.0 111.036 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 65' ' ' TYR . 2.6 p -48.81 -41.47 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 O-C-N 124.317 1.011 . . . . 1.0 110.597 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.561 HG13 HG13 ' A' ' 69' ' ' VAL . 54.4 mt -112.28 130.17 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 122.0 0.905 . . . . 1.0 109.547 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -78.7 22.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.519 -0.738 . . . . 1.0 110.326 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 70' ' ' ILE . 64.8 t0 -83.85 78.04 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.78 -0.575 . . . . 1.0 110.33 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.05 -4.51 27.27 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 69.2 t80 -80.11 25.03 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -101.71 105.04 15.88 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.522 1.153 . . . . 1.0 110.089 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -60.58 -40.9 93.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.363 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.481 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.76 -50.51 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -60.2 -47.59 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.66 0.267 . . . . 1.0 110.319 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.14 96.07 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.246 -0.284 . . . . 1.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.86 73.93 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.447 0.467 . . . . 1.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.63 -38.21 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.413 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.16 58.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -51.24 -41.95 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.79 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 1.0 110.655 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.54 -32.94 66.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.668 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -62.89 -15.99 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.926 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.456 ' O ' ' CE1' ' A' ' 56' ' ' TYR . 95.7 m-85 -137.76 59.49 1.66 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.253 0.549 . . . . 1.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.75 144.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.209 0.528 . . . . 1.0 110.44 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 1.0 110.601 179.65 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 110.491 -0.189 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.63 -52.11 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 1.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.92 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.76 -50.95 61.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.737 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.89 -43.46 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.28 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.525 -0.47 . . . . 1.0 111.174 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.8 -42.02 83.37 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.955 0.784 . . . . 1.0 110.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.72 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.41 -38.78 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.83 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.244 -0.285 . . . . 1.0 110.741 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -62.71 -38.33 90.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.666 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.5 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.268 0.556 . . . . 1.0 110.068 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo . . . . . 0 N--CA 1.491 1.358 0 CA-C-O 121.806 0.669 . . . . 1.0 112.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 71.39 -48.12 0.67 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.189 -0.945 . . . . 1.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 10' ' ' TYR . 96.4 mt-10 -76.56 -35.92 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.323 0.582 . . . . 1.0 110.715 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -55.46 -4.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.0 110.36 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.472 ' C ' ' H ' ' A' ' 12' ' ' GLU . 1.5 p90 -70.19 -10.05 57.65 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 122.114 0.959 . . . . 1.0 111.228 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -50.55 -13.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.353 -0.842 . . . . 1.0 109.946 179.221 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.943 ' N ' HD13 ' A' ' 11' ' ' LEU . 69.3 tt0 -62.5 -52.44 63.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 124.737 1.273 . . . . 1.0 110.399 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.46 -29.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.788 1.305 . . . . 1.0 111.374 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.8 t -80.37 -52.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 122.456 -0.437 . . . . 1.0 110.499 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ALA . 97.3 mt -44.63 -66.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.416 -0.178 . . . . 1.0 110.61 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.48 -53.79 10.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.99 0.424 . . . . 1.0 110.221 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -61.22 2.42 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.63 -0.669 . . . . 1.0 110.803 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.85 -75.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.331 0.395 . . . . 1.0 110.347 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.05 114.71 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.83 56.55 4.26 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.119 -0.793 . . . . 1.0 111.119 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 25.3 p30 -122.44 56.58 1.11 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.826 0.346 . . . . 1.0 110.653 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -43.38 -38.75 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.237 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.1 t -57.57 -51.16 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.584 0.552 . . . . 1.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 23' ' ' THR . 88.7 mt-10 -53.67 -43.77 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.172 -0.33 . . . . 1.0 110.749 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -46.24 -24.3 0.45 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.617 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -57.11 -42.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.96 -51.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.414 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.48 -44.57 96.06 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.146 0.904 . . . . 1.0 110.781 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' CE1' ' NZ ' ' A' ' 46' ' ' LYS . 28.3 t80 -58.86 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.08 -37.52 61.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.394 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.5 -47.55 63.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.73 -54.69 41.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.666 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.6 mp -59.11 -43.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.062 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -50.82 -33.31 23.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.118 -0.364 . . . . 1.0 110.302 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.5 mt -73.43 -39.69 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.553 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 21.7 p-10 -173.46 115.3 0.35 Allowed Pre-proline 0 CA--C 1.546 0.818 0 CA-C-O 118.529 -0.748 . . . . 1.0 110.923 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.24 24.61 0.74 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 120.876 1.051 . . . . 1.0 112.245 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -89.31 -6.39 56.75 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.089 -0.382 . . . . 1.0 110.699 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 4.2 pt-20 -91.68 99.4 12.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 1.0 110.38 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' TRP . 65.9 p -66.55 -45.19 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 1.0 110.913 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -47.51 -28.41 2.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.025 0.441 . . . . 1.0 110.111 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CD2' ' OE2' ' A' ' 39' ' ' GLU . 8.6 m-85 -78.3 -32.54 49.44 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.406 -0.808 . . . . 1.0 110.239 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.5 m95 -73.7 -36.57 65.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.335 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 tp -56.87 -39.08 73.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.52 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.4 tpp -67.41 -39.22 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.859 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 21.3 tptm -58.35 -47.03 85.08 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.917 1.386 . . . . 1.0 110.761 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 -48.13 73.83 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.67 -33.84 73.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 1.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.628 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -67.47 -50.13 60.47 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.57 -45.89 85.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.284 -0.871 . . . . 1.0 110.601 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -56.22 -50.6 70.82 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.465 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.35 -26.17 68.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 122.239 -0.288 . . . . 1.0 110.567 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.6 mp -79.67 13.11 2.22 Favored 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 123.628 0.58 . . . . 1.0 110.3 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.42 5.63 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.395 0.678 . . . . 1.0 110.438 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.477 HH11 ' HB3' ' A' ' 53' ' ' LEU . 60.8 mtt85 -92.61 61.9 3.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.361 0.601 . . . . 1.0 109.897 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -55.89 -39.35 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.327 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.0 pt-20 -66.66 -51.18 59.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 15.8 tt0 -63.07 -42.31 99.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.264 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.46 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.327 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.561 HG13 ' HZ1' ' A' ' 82' ' ' LYS . 14.0 t -58.64 -35.52 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.8 -38.55 78.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.868 -0.52 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 m -66.4 -52.0 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.473 0.483 . . . . 1.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -59.56 -43.43 93.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.505 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' ND2' HG12 ' A' ' 60' ' ' VAL . 82.9 m-20 -62.87 -38.49 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.5 -0.48 . . . . 1.0 110.375 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 69' ' ' VAL . 69.3 t80 -58.58 -45.07 89.84 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.346 1.029 . . . . 1.0 109.811 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 80.1 t -66.76 -42.41 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 123.287 0.367 . . . . 1.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.26 -23.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.38 0.609 . . . . 1.0 110.375 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 64' ' ' ASN . 49.3 t30 -84.73 -74.99 0.37 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 70' ' ' ILE . 1.6 p -50.59 -43.71 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 124.367 1.042 . . . . 1.0 110.469 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.686 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.4 mt -102.38 132.5 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.584 1.183 . . . . 1.0 109.331 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -95.26 27.03 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.463 -0.773 . . . . 1.0 110.587 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 70' ' ' ILE . 81.6 m-20 -82.82 43.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.679 -0.638 . . . . 1.0 110.076 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.53 73.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.01 0.433 . . . . 1.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.567 ' N ' ' O ' ' A' ' 72' ' ' ASP . 65.8 t80 -166.89 30.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.541 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -106.72 106.71 17.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.355 1.074 . . . . 1.0 110.076 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.07 -38.73 92.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.434 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.52 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.561 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.56 -47.31 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -58.6 -44.02 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 1.0 110.309 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -38.07 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.161 -0.337 . . . . 1.0 110.631 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.24 78.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HZ1' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -61.45 -45.06 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.167 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.79 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -52.47 -41.68 63.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.168 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.06 89.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 1.0 110.492 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' ILE . 90.4 mt -72.97 -29.21 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.626 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.76 -17.16 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.028 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -129.15 53.22 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 86' ' ' LEU . 17.5 tt -126.8 132.67 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.104 0.478 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 1.0 110.446 179.545 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.9 p . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.517 0.199 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.05 -49.78 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 1.0 110.432 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.48 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.772 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.24 -44.87 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.942 0.401 . . . . 1.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.54 -44.91 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.08 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.11 79.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.88 -45.79 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.937 0.773 . . . . 1.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.71 95.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.775 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -62.88 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 1.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.37 -28.07 60.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 1.0 110.878 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -95.9 -0.98 50.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.487 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.2 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.308 0.575 . . . . 1.0 109.708 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo . . . . . 0 N--CA 1.492 1.416 0 CA-C-O 120.834 0.264 . . . . 1.0 111.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.55 -18.08 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.193 -0.942 . . . . 1.0 110.721 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.76 -37.61 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.409 0.623 . . . . 1.0 110.701 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.41 -16.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -56.68 -12.16 1.71 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.676 -0.64 . . . . 1.0 110.13 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -43.93 -21.99 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.357 -0.839 . . . . 1.0 110.801 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE2' ' CE1' ' A' ' 29' ' ' PHE . 19.2 pt-20 -54.41 -49.46 69.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.857 1.348 . . . . 1.0 110.479 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -36.08 -37.54 0.18 Allowed Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.717 1.26 . . . . 1.0 110.986 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -54.41 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.497 -0.413 . . . . 1.0 110.631 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 19' ' ' ALA . 69.0 mt -43.51 -63.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.439 -0.163 . . . . 1.0 110.608 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 22' ' ' TYR . 60.4 tp60 -47.24 -54.83 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.498 -0.481 . . . . 1.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -50.39 -61.33 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.591 -0.693 . . . . 1.0 111.052 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.3 -72.43 0.33 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.493 0.663 . . . . 1.0 110.658 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -88.45 86.72 7.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.563 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.23 80.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.482 -0.647 . . . . 1.0 111.482 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' ALA . 1.3 m-20 -127.43 58.87 1.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.805 0.336 . . . . 1.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 m-85 -42.54 -39.51 2.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.326 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.0 t -59.83 -48.84 80.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.427 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' N ' HG23 ' A' ' 23' ' ' THR . 48.9 tp10 -56.54 -46.31 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.668 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -50.9 -26.78 6.31 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.656 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' THR . 1.6 tp -57.99 -44.53 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.297 0.57 . . . . 1.0 110.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 92.1 m-20 -55.1 -44.84 75.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.313 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -67.6 -43.56 80.18 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.158 0.911 . . . . 1.0 110.563 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' OE2' ' A' ' 12' ' ' GLU . 37.6 m-85 -59.33 -48.55 81.19 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.046 -0.661 . . . . 1.0 110.384 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -55.35 -40.73 71.6 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.593 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -63.02 -46.01 89.64 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.163 -0.615 . . . . 1.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.42 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.515 -0.474 . . . . 1.0 110.701 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.62 -48.16 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.675 0.609 . . . . 1.0 109.896 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -56.17 -38.33 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.085 -0.384 . . . . 1.0 110.531 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.27 -47.12 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.873 0.733 . . . . 1.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -170.62 109.46 0.43 Allowed Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.402 -0.809 . . . . 1.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.97 117.8 2.62 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 121.21 1.274 . . . . 1.0 111.931 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' H ' ' H ' ' A' ' 39' ' ' GLU . 41.7 tt0 -175.22 -14.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.11 0.481 . . . . 1.0 110.988 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' ' CE2' ' A' ' 43' ' ' TRP . 72.9 mt-10 -92.67 97.45 10.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.869 0.366 . . . . 1.0 110.549 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -65.0 -44.36 89.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.426 0.632 . . . . 1.0 111.251 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -51.28 -31.05 19.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 1.0 110.39 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -78.62 -36.76 43.67 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.398 -0.814 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CE2' ' O ' ' A' ' 39' ' ' GLU . 1.4 m95 -76.08 -27.61 57.25 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.29 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.21 -40.97 87.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.023 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 mmt -66.5 -36.89 83.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.441 0.463 . . . . 1.0 110.827 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HZ3' HD11 ' A' ' 50' ' ' LEU . 65.6 tttm -58.0 -48.65 79.37 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.923 1.389 . . . . 1.0 110.457 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.06 69.6 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.61 -28.68 70.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.809 0.338 . . . . 1.0 110.605 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -68.48 -50.34 53.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HZ3' ' A' ' 46' ' ' LYS . 26.0 mt -63.99 -43.49 95.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.192 -0.913 . . . . 1.0 110.682 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' ALA . 1.8 t80 -58.6 -50.61 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.33 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.77 -25.88 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.999 -0.281 . . . . 1.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.2 mp -78.63 16.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.504 0.503 . . . . 1.0 110.563 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 74.65 8.44 4.33 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.42 0.688 . . . . 1.0 110.458 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -102.74 89.24 3.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.267 0.556 . . . . 1.0 109.993 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.58 -35.97 57.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.789 0.804 . . . . 1.0 110.237 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.49 -47.94 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.163 -0.926 . . . . 1.0 111.066 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.31 -45.69 86.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.504 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB2' ' N ' ' A' ' 51' ' ' TYR . . . -56.57 -44.28 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' TYR . 40.8 t -61.0 -36.81 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.16 -35.93 74.39 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.789 -0.569 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.77 -49.64 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.392 0.433 . . . . 1.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 63' ' ' TYR . 1.6 t80 -50.35 -45.51 55.15 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.52 -0.472 . . . . 1.0 109.94 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 32.6 m120 -60.42 -29.69 69.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.707 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 38.3 t80 -57.48 -49.35 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.459 1.1 . . . . 1.0 109.895 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.0 t -65.91 -45.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.756 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.51 -26.48 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.018 0.437 . . . . 1.0 110.164 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASN . 21.4 t-20 -87.76 -69.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.644 -0.253 . . . . 1.0 110.951 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 97.2 t -52.88 -48.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 124.349 1.031 . . . . 1.0 110.556 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 66' ' ' VAL . 48.5 mt -105.82 121.76 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.498 0.666 . . . . 1.0 109.587 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' GLU . 82.9 tt0 -59.49 -28.74 67.3 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.528 -0.732 . . . . 1.0 110.639 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' H ' HG22 ' A' ' 70' ' ' ILE . 61.4 m-20 -50.13 87.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.752 -0.592 . . . . 1.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.9 pp20? -101.0 -3.29 29.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.234 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 59.3 t80 -85.05 45.17 1.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.199 0.523 . . . . 1.0 110.656 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -105.75 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.492 1.139 . . . . 1.0 110.162 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 63.9 mttp -62.54 -35.57 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.643 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -69.59 -47.53 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.6 -51.56 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.677 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.418 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 15.7 m95 -59.18 -42.7 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 1.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.44 89.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.19 -0.319 . . . . 1.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.13 97.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.06 -40.42 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.513 . . . . 1.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.15 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.687 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -56.2 -42.22 76.81 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.397 0.436 . . . . 1.0 109.982 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.86 94.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 1.0 110.595 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 88' ' ' TYR . 80.8 mt -67.24 -21.14 65.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 64.2 ttt-85 -73.67 25.93 0.07 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.407 -0.517 . . . . 1.0 110.534 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.513 ' H ' ' C ' ' A' ' 86' ' ' LEU . 91.1 m-85 -158.51 27.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.461 0.476 . . . . 1.0 110.723 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.62 138.12 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.104 0.478 . . . . 1.0 110.271 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.113 0.482 . . . . 1.0 110.311 179.649 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.802 0.335 . . . . 1.0 110.296 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.87 -47.6 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.68 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -75.0 -42.41 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.43 . . . . 1.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.41 -47.53 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.108 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.61 73.08 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.355 -0.538 . . . . 1.0 111.105 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -58.63 -46.67 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.989 0.805 . . . . 1.0 110.117 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -68.03 -44.62 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.2 -37.29 79.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.611 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.6 97.49 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.235 -0.291 . . . . 1.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -93.14 -14.12 27.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ALA . 35.3 tp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.483 0.659 . . . . 1.0 109.991 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 121.014 0.339 . . . . 1.0 112.187 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.63 -44.58 56.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.222 -0.924 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.48 -33.86 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 1.0 110.795 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 4.4 m-30 -52.19 -22.48 4.37 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.237 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.1 p90 -50.47 -20.74 1.22 Allowed 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.599 -0.688 . . . . 1.0 110.172 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -43.48 -24.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.443 -0.785 . . . . 1.0 110.864 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -56.02 -52.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.783 1.302 . . . . 1.0 110.94 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -32.46 -35.09 0.02 OUTLIER Glycine 0 N--CA 1.475 1.246 0 O-C-N 124.752 1.283 . . . . 1.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.7 t -75.19 -51.05 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.6 -0.353 . . . . 1.0 110.747 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLU . 90.8 mt -43.61 -67.74 0.25 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 122.358 -0.214 . . . . 1.0 110.53 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -56.71 6.63 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.081 -0.341 . . . . 1.0 110.081 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.1 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.681 -0.637 . . . . 1.0 110.738 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -75.49 -78.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.505 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.81 103.53 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.35 0.595 . . . . 1.0 110.47 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.44 73.91 0.15 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -138.45 61.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.608 -0.348 . . . . 1.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -43.3 -35.26 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.39 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 26' ' ' ILE . 97.3 m -60.48 -49.51 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.079 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -55.93 -43.96 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 p -52.74 -24.83 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 1.0 110.714 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 23' ' ' THR . 8.2 tt -58.44 -41.69 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.505 0.669 . . . . 1.0 110.647 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 94.1 m-20 -57.85 -43.28 85.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.917 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -68.47 -44.9 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.097 0.873 . . . . 1.0 110.673 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -59.38 -47.96 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.706 -0.798 . . . . 1.0 110.466 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.98 -39.17 71.44 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.443 -0.503 . . . . 1.0 110.647 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -58.61 -43.7 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.29 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.221 -0.591 . . . . 1.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -60.46 -44.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.065 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -54.78 -46.59 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.115 -0.366 . . . . 1.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.38 -42.64 78.83 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.755 0.66 . . . . 1.0 110.599 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -140.66 93.3 8.64 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.796 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -87.61 54.72 2.67 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.378 1.385 . . . . 1.0 112.119 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -153.99 35.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 1.0 110.15 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -125.72 112.7 16.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.232 0.539 . . . . 1.0 110.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -68.49 -45.79 71.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.063 0.459 . . . . 1.0 110.989 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -50.3 -37.13 34.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 1.0 110.012 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.07 -35.67 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 1.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -75.52 -34.57 60.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 78' ' ' VAL . 8.8 tt -58.7 -39.72 81.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.364 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.454 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -66.19 -39.95 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.927 -0.709 . . . . 1.0 110.89 -179.428 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.28 -46.45 79.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.9 1.375 . . . . 1.0 110.653 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.24 -47.69 73.18 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.159 -0.777 . . . . 1.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE2' HD21 ' A' ' 44' ' ' LEU . 64.4 mttm -61.18 -33.55 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.946 -0.301 . . . . 1.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.67 -50.01 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.799 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 62' ' ' CYS . 46.3 mt -64.44 -40.28 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.72 -51.16 70.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.335 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -62.36 -24.76 67.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.238 -0.289 . . . . 1.0 110.617 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.55 14.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.64 0.588 . . . . 1.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 72.8 7.48 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.372 0.669 . . . . 1.0 110.288 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -93.36 65.26 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 1.0 110.082 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 60' ' ' VAL . 32.3 m-85 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.069 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 9.6 pt-20 -67.55 -51.35 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 41.4 tt0 -59.95 -43.69 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.414 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.73 95.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.429 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 56' ' ' TYR . 24.9 t -58.19 -42.19 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.95 -35.08 75.82 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.792 -0.568 . . . . 1.0 110.348 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 50' ' ' LEU . 85.0 m -69.93 -52.63 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.429 0.456 . . . . 1.0 110.529 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.37 -41.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.043 -0.663 . . . . 1.0 110.751 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' ASN . 42.2 t30 -62.1 -33.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.593 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.82 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 54.1 t80 -56.58 -43.75 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.455 1.097 . . . . 1.0 110.07 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.33 -44.1 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.96 -25.42 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.141 0.496 . . . . 1.0 109.873 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ASN . 27.5 t-20 -87.76 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.53 -0.305 . . . . 1.0 111.079 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.82 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 90.2 t -51.07 -45.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 124.399 1.062 . . . . 1.0 110.396 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 72' ' ' ASP . 28.1 mt -107.3 120.73 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 1.0 109.747 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 73' ' ' GLU . 80.6 mm-40 -74.82 18.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.471 -0.768 . . . . 1.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t0 -71.46 41.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.763 -0.586 . . . . 1.0 110.403 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 71' ' ' GLU . 76.9 tt0 -61.28 72.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.165 0.507 . . . . 1.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 74' ' ' TYR . 69.7 t80 -168.04 34.01 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -108.3 108.52 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.951 0.881 . . . . 1.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.54 -36.59 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.87 -0.519 . . . . 1.0 110.79 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 44' ' ' LEU . 65.0 t0 -62.75 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 44' ' ' LEU . 75.1 t -64.92 -46.77 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.464 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 36.0 m0 -60.67 -45.11 95.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 1.0 110.229 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.51 98.76 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.271 -0.268 . . . . 1.0 110.866 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.798 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -61.29 -42.09 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.413 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.65 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.389 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.08 -41.6 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.112 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.46 93.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.409 . . . . 1.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 88' ' ' TYR . 96.0 mt -65.69 -41.14 92.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -55.91 -5.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' H ' ' C ' ' A' ' 86' ' ' LEU . 84.3 m-85 -143.16 55.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.159 0.504 . . . . 1.0 110.749 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.6 tt -129.07 139.86 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.14 0.495 . . . . 1.0 110.62 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 1.0 110.752 179.625 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.531 -0.174 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -66.53 -48.02 71.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.928 0.394 . . . . 1.0 110.387 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.92 77.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.28 -47.26 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.88 -43.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.133 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.8 75.39 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.965 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.23 -47.67 82.81 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.965 0.791 . . . . 1.0 110.727 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.32 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.762 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -64.42 -41.34 96.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.452 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.89 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 1.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -66.79 -43.63 83.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.643 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.261 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 N--CA 1.496 1.638 0 CA-C-O 121.235 0.431 . . . . 1.0 112.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.17 -16.17 63.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.13 -0.981 . . . . 1.0 110.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -72.83 -32.74 65.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.345 0.403 . . . . 1.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.899 0.38 . . . . 1.0 110.462 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -49.52 -16.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 1.0 110.446 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -41.63 -22.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.503 -0.748 . . . . 1.0 110.776 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.4 pt-20 -58.7 -48.92 79.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 124.812 1.32 . . . . 1.0 110.616 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -38.18 -40.52 0.88 Allowed Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.783 1.302 . . . . 1.0 110.908 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.75 -58.36 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.974 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.0 mt -43.54 -64.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.283 -0.266 . . . . 1.0 110.283 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' ALA . 65.0 tp60 -49.49 -54.92 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.206 -0.294 . . . . 1.0 110.206 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.58 -61.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.624 -0.672 . . . . 1.0 110.757 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -66.47 -67.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 1.0 110.444 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -103.0 -128.27 0.23 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.99 -92.6 0.75 Allowed Glycine 0 N--CA 1.471 0.999 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 57.04 37.4 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.599 -0.354 . . . . 1.0 110.352 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.799 ' CD2' HD21 ' A' ' 53' ' ' LEU . 10.5 p90 -64.62 -54.03 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.645 0.591 . . . . 1.0 110.413 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 26' ' ' ILE . 99.5 m -64.53 -42.87 95.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.626 0.579 . . . . 1.0 110.268 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.05 -44.75 94.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.893 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 71.4 p -53.23 -28.11 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.297 0.57 . . . . 1.0 110.785 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 23' ' ' THR . 7.3 tt -52.33 -35.22 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 1.0 110.492 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 27.1 t70 -65.85 -49.64 67.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.51 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.4 mm? -60.42 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.123 -0.944 . . . . 1.0 110.633 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.55 -47.43 83.88 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.563 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 29' ' ' PHE . 80.6 tt0 -51.85 -38.65 56.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.676 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 27' ' ' ASP . 59.5 mttp -66.67 -40.14 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.816 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.65 70.99 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 8.1 mt -63.1 -36.18 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.232 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.76 -41.67 87.09 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.103 -0.373 . . . . 1.0 110.515 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.0 -40.2 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.492 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -146.25 99.88 4.2 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.896 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.63 83.92 1.33 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.211 1.274 . . . . 1.0 111.529 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -175.06 -9.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.505 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -71.14 97.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.206 0.527 . . . . 1.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -63.76 -46.28 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.935 0.398 . . . . 1.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -49.42 -30.58 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 1.0 110.178 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.04 -36.73 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.416 -0.802 . . . . 1.0 110.604 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -67.14 -30.95 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.376 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.62 -41.83 67.1 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.564 -0.743 . . . . 1.0 110.715 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.6 mmm -63.55 -40.79 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.892 -0.723 . . . . 1.0 110.352 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -50.92 -58.86 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.893 1.371 . . . . 1.0 110.921 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.98 59.85 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -56.25 -39.33 72.42 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.568 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.43 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 1.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.41 -41.52 97.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.27 -49.52 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.491 . . . . 1.0 110.496 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.47 -30.57 71.35 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 ' CD2' ' A' ' 22' ' ' TYR . 25.5 mt -74.09 1.78 10.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 123.693 0.621 . . . . 1.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 80.19 22.81 0.44 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.669 0.388 . . . . 1.0 110.852 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -109.59 70.81 0.74 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.269 0.556 . . . . 1.0 109.727 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.65 -40.39 79.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.861 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.69 -51.29 67.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.729 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -65.98 -38.37 88.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.406 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.97 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.773 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.79 -43.22 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -63.76 -38.57 91.61 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.801 -0.562 . . . . 1.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 t -71.08 -52.1 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.395 0.435 . . . . 1.0 110.367 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -50.4 -41.65 52.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.215 -0.594 . . . . 1.0 110.178 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.3 t30 -59.04 -24.09 62.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.629 -0.428 . . . . 1.0 110.223 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.738 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 50.3 t80 -59.48 -45.43 91.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.409 1.068 . . . . 1.0 109.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.1 t -67.18 -46.49 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 123.32 0.388 . . . . 1.0 110.683 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 67' ' ' ILE . 1.6 mp -67.29 -38.62 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.165 0.507 . . . . 1.0 110.204 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -75.21 -71.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.96 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 74.5 t -49.08 -46.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.331 1.019 . . . . 1.0 110.627 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 66' ' ' VAL . 57.5 mt -113.1 130.46 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.795 0.807 . . . . 1.0 109.747 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 73' ' ' GLU . 26.2 tp10 -78.24 24.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.434 -0.791 . . . . 1.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 74' ' ' TYR . 32.8 p-10 -74.94 23.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.657 -0.652 . . . . 1.0 110.512 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 71' ' ' GLU . 83.7 tt0 -56.14 79.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 87.1 t80 -168.08 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -43.6 112.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.975 0.893 . . . . 1.0 110.494 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -61.44 -36.8 81.4 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.832 -0.542 . . . . 1.0 110.417 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.78 -46.94 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.778 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.49 -49.47 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.371 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.46 -47.8 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 1.0 110.196 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.72 90.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.198 -0.314 . . . . 1.0 110.671 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.87 88.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.69 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.473 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -50.35 -41.7 51.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.226 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.49 95.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 1.0 110.544 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 89' ' ' ILE . 88.7 mt -71.87 -19.52 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.89 -11.04 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.25 47.81 2.38 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.605 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 86' ' ' LEU . 15.0 tt -129.65 140.87 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.121 0.486 . . . . 1.0 110.412 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.445 0.64 . . . . 1.0 110.477 179.707 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.97 -51.75 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 1.0 110.638 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.69 -52.03 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.212 -0.595 . . . . 1.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.8 -43.09 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.17 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.72 -55.09 37.4 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.862 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.68 -39.09 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.04 0.837 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -48.29 53.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 1.0 110.736 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.13 -39.69 90.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.657 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.79 78.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 1.0 111.158 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.08 -46.72 41.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.681 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.6 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.036 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 8' ' ' GLU . 31.7 Cg_exo . . . . . 0 N--CA 1.495 1.612 0 CA-C-O 121.364 0.485 . . . . 1.0 112.299 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 68.27 -48.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.145 -0.972 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' PRO . 80.6 mm-40 -77.05 -36.74 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.27 0.557 . . . . 1.0 110.904 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -53.78 -13.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.26 -10.21 1.89 Allowed 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.63 -0.669 . . . . 1.0 110.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -46.84 -26.67 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.472 -0.767 . . . . 1.0 110.765 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' VAL . 15.4 tm-20 -52.51 -51.49 59.23 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 124.75 1.281 . . . . 1.0 110.827 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -34.62 -32.58 0.02 OUTLIER Glycine 0 N--CA 1.472 1.099 0 O-C-N 124.784 1.303 . . . . 1.0 111.19 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLU . 40.9 t -80.96 -51.81 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 O-C-N 122.467 -0.431 . . . . 1.0 110.618 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.9 mt -44.43 -67.72 0.26 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 22' ' ' TYR . 26.7 tp60 -47.06 -53.15 13.31 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.282 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.65 -61.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.64 -0.663 . . . . 1.0 110.728 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -76.38 -75.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.633 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.89 112.81 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.638 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.23 59.64 4.55 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.7 p30 -121.1 59.07 0.95 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.514 -0.404 . . . . 1.0 110.399 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 90.7 m-85 -39.02 -38.73 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.343 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -55.03 -49.73 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.621 0.575 . . . . 1.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.65 -45.09 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.937 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -50.45 -36.87 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 1.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.85 -44.18 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 O-C-N 122.015 -0.428 . . . . 1.0 110.213 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.039 -0.664 . . . . 1.0 110.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.4 tm? -69.56 -43.23 73.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.063 0.852 . . . . 1.0 110.92 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.96 -45.31 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.777 -0.769 . . . . 1.0 110.398 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.97 -35.38 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.502 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.25 -47.1 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.72 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.63 -52.14 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.879 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.14 -42.36 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.164 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -51.95 -35.74 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.116 -0.365 . . . . 1.0 110.439 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.43 -40.08 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.611 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -165.43 114.46 0.83 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.94 -0.552 . . . . 1.0 110.733 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' H ' ' A' ' 39' ' ' GLU . 66.1 Cg_endo -82.78 -10.33 10.64 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 121.122 1.215 . . . . 1.0 112.078 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -70.46 37.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.42 . . . . 1.0 110.679 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.7 mt-10 -130.27 99.43 5.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.22 0.533 . . . . 1.0 110.21 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -66.88 -45.32 78.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 1.0 110.891 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' O ' ' SD ' ' A' ' 45' ' ' MET . 25.8 mtmm -48.88 -32.35 8.74 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -77.48 -33.17 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.407 -0.808 . . . . 1.0 110.479 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -78.15 -39.29 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.441 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -67.9 -38.89 83.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.843 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -57.36 -46.28 83.5 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.903 1.377 . . . . 1.0 110.494 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.1 -43.81 56.48 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.43 -34.17 74.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 1.0 110.478 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.24 61.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.919 0.39 . . . . 1.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.53 -43.03 95.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.664 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -57.52 -50.16 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.342 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.81 -24.3 66.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 121.005 -0.278 . . . . 1.0 110.603 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 50.5 mt -81.26 15.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.632 0.583 . . . . 1.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 84.7 mt-10 71.32 7.09 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.558 0.743 . . . . 1.0 110.383 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -91.92 60.07 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 1.0 110.095 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.54 -37.83 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.419 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.83 -51.28 50.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.28 -42.75 99.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.441 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.9 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.75 -36.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.946 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -60.04 -36.66 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.775 -0.578 . . . . 1.0 110.484 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.2 m -69.14 -50.49 47.43 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.386 0.429 . . . . 1.0 110.638 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -59.3 -43.26 92.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.03 -36.47 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.786 -0.365 . . . . 1.0 110.595 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.866 ' O ' HG22 ' A' ' 69' ' ' VAL . 60.2 t80 -59.22 -44.27 92.29 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.448 1.092 . . . . 1.0 109.94 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 98.5 t -63.65 -34.01 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 O-C-N 123.276 0.36 . . . . 1.0 110.467 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.5 mt -81.43 -22.05 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 1.0 110.184 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -80.71 -79.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.305 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 65' ' ' TYR . 4.8 m -46.64 -40.42 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 124.305 1.003 . . . . 1.0 110.46 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG13 HG23 ' A' ' 69' ' ' VAL . 52.5 mt -107.59 115.65 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 122.065 0.936 . . . . 1.0 109.461 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -70.02 27.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.466 -0.771 . . . . 1.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 70' ' ' ILE . 21.7 t0 -46.75 -56.96 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.783 -0.573 . . . . 1.0 110.414 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASP . 96.4 mt-10 32.18 42.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.369 0.604 . . . . 1.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -152.22 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.799 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -52.19 110.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.279 1.038 . . . . 1.0 110.262 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -65.0 -37.99 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.555 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.61 -40.89 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.549 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.57 -46.58 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.483 ' CZ3' ' NH2' ' A' ' 102' ' ' ARG . 71.2 m95 -64.97 -47.07 78.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 1.0 110.338 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.227 -0.296 . . . . 1.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.82 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -61.54 -36.12 79.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.216 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.83 -47.87 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.575 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.9 -42.34 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.3 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.9 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 1.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.469 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -66.84 -20.09 65.86 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -130.04 58.15 1.67 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.744 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -127.37 136.02 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.087 0.47 . . . . 1.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 1.0 110.508 179.549 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.164 0 N-CA-C 110.265 -0.272 . . . . 1.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.38 -48.34 80.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.848 0.356 . . . . 1.0 110.619 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.26 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.881 -0.328 . . . . 1.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -67.61 -46.62 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.101 0.477 . . . . 1.0 110.575 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.8 mp -61.08 -44.68 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.144 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.46 72.03 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.738 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -58.89 -46.37 87.99 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.0 0.812 . . . . 1.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.06 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 1.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' NH2' ' CZ3' ' A' ' 79' ' ' TRP . 57.6 ttp180 -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 1.0 110.58 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.78 79.11 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.187 -0.321 . . . . 1.0 111.029 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -67.55 -44.05 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 1.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.181 -179.576 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' O ' ' OD1' ' A' ' 3' ' ' ASP . 58.9 t -96.87 112.77 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.208 0.528 . . . . 1.0 110.182 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 2' ' ' VAL . 85.0 m-20 -143.73 109.13 5.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.334 0.588 . . . . 1.0 110.589 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -138.13 -66.97 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.077 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.8 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 15.1 m120 -159.49 -35.31 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 115.528 -0.76 . . . . 1.0 112.497 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.8 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 56.1 Cg_endo -82.81 24.55 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 121.659 1.573 . . . . 1.0 112.027 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -75.24 -46.57 32.93 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.167 -0.958 . . . . 1.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 40.2 mp0 -74.0 -33.7 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 1.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 11' ' ' LEU . 27.6 m-85 -53.65 -22.4 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.442 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLU . 1.3 p90 -48.94 -14.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.549 0.69 . . . . 1.0 110.464 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' C ' ' A' ' 9' ' ' TYR . 2.1 pp -48.03 -20.27 0.33 Allowed 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 121.447 -0.783 . . . . 1.0 110.51 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' VAL . 13.6 tm-20 -57.55 -54.31 48.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.827 1.329 . . . . 1.0 110.8 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -33.91 -32.59 0.02 OUTLIER Glycine 0 N--CA 1.475 1.245 0 O-C-N 124.735 1.272 . . . . 1.0 111.151 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . 39.1 t -76.65 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 122.458 -0.436 . . . . 1.0 110.582 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 19' ' ' ALA . 86.2 mt -43.94 -65.66 0.48 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 119.649 -0.215 . . . . 1.0 110.432 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.09 -56.08 6.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.571 -0.706 . . . . 1.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.77 -71.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 1.0 110.502 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -68.58 110.02 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 1.0 110.343 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 65.03 2.74 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' GLU . 40.7 t-20 -140.77 63.34 1.46 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.277 0.56 . . . . 1.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.4 -34.23 0.5 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.097 -0.956 . . . . 1.0 110.176 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 26' ' ' ILE . 14.4 m -62.41 -45.77 91.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.581 0.551 . . . . 1.0 110.049 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ASN . 83.9 tt0 -56.41 -45.78 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.179 -0.326 . . . . 1.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.6 p -50.3 -23.02 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.532 . . . . 1.0 110.56 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 23' ' ' THR . 8.7 tt -60.78 -41.93 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.251 0.548 . . . . 1.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 63.0 m-20 -58.54 -47.66 83.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.116 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.3 mm? -68.6 -43.07 77.25 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.092 0.87 . . . . 1.0 110.823 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 65.6 t80 -59.75 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.407 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -53.64 -38.51 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.608 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.55 -45.6 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.91 63.0 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.733 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 51.8 mt -64.5 -41.03 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 123.691 0.619 . . . . 1.0 110.557 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -53.96 -33.19 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.061 -0.399 . . . . 1.0 110.537 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.72 -49.26 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -172.35 112.83 0.38 Allowed Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.854 -0.593 . . . . 1.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.46 124.06 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 121.13 1.22 . . . . 1.0 111.672 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? 176.31 -8.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -96.67 108.42 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.201 0.524 . . . . 1.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -67.2 -46.65 73.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.521 . . . . 1.0 111.133 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -47.73 -27.99 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.281 0.562 . . . . 1.0 110.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.06 -33.73 57.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.321 -0.862 . . . . 1.0 110.22 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -73.18 -35.36 66.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.024 -0.361 . . . . 1.0 110.024 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -57.66 -39.25 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.462 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.961 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -58.23 -44.49 88.24 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.884 1.365 . . . . 1.0 110.645 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.54 -49.43 60.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -58.77 -34.55 71.56 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.398 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.19 54.02 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.46 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.716 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.28 -50.72 72.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.389 -0.524 . . . . 1.0 110.233 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.97 -27.91 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.268 -0.27 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -77.09 11.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' ' HE ' ' A' ' 55' ' ' ARG . 4.1 tp10 76.07 10.62 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.976 0.511 . . . . 1.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HE ' ' C ' ' A' ' 54' ' ' GLU . 5.0 mmp_? -97.72 68.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.4 m-85 -60.87 -41.21 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.951 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.69 -50.4 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.729 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.601 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.92 75.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.501 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 56' ' ' TYR . 39.9 t -60.01 -38.35 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.9 -34.55 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.786 -0.571 . . . . 1.0 110.467 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.3 m -71.77 -45.27 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 1.0 110.716 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 1.8 t80 -57.87 -46.91 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ASN . 25.4 t-20 -66.75 -34.6 78.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.342 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 58.2 t80 -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.367 1.042 . . . . 1.0 110.425 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.6 -30.67 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.629 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 11.2 mt -89.39 -24.16 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 110.18 -0.304 . . . . 1.0 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.4 t-20 -80.63 -65.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.364 -0.21 . . . . 1.0 110.847 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 96.1 t -60.09 -46.43 94.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.319 1.012 . . . . 1.0 110.425 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' ASP . 58.3 mt -107.74 130.32 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 121.907 0.86 . . . . 1.0 109.671 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 57.5 mp0 -77.0 23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.532 -0.73 . . . . 1.0 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.538 ' OD2' ' ND2' ' A' ' 75' ' ' ASN . 66.9 t0 -76.87 46.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.767 -0.583 . . . . 1.0 110.216 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -77.49 77.82 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.229 0.537 . . . . 1.0 110.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' ' NZ ' ' A' ' 76' ' ' LYS . 73.6 t80 -168.11 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.538 ' ND2' ' OD2' ' A' ' 72' ' ' ASP . 78.6 m-20 -49.36 107.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.132 0.968 . . . . 1.0 110.344 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 60.8 mttp -59.99 -42.97 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.843 -0.536 . . . . 1.0 110.629 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -59.41 -40.5 86.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 -50.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.523 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CH2' ' OH ' ' A' ' 63' ' ' TYR . 59.9 m95 -57.56 -43.32 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 1.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.38 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.268 -0.27 . . . . 1.0 110.75 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.73 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 63' ' ' TYR . 33.3 tttp -57.86 -45.15 86.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.162 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.82 53.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.514 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -56.91 -35.18 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.138 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.32 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 110.74 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 88' ' ' TYR . 10.0 mp -66.09 -35.56 80.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -52.32 -9.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.218 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 86' ' ' LEU . 97.8 m-85 -144.52 62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.099 0.476 . . . . 1.0 110.47 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -129.73 141.23 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.452 0.644 . . . . 1.0 110.345 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' N ' ' OE1' ' A' ' 90' ' ' GLU . 58.0 mp0 -83.33 94.31 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.44 0.638 . . . . 1.0 110.573 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.25 -134.9 3.16 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -72.17 144.82 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 1.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -98.47 -24.24 15.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.16 -21.96 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.45 -49.88 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 1.0 110.523 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.84 -34.87 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.46 -47.41 73.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 1.0 110.609 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.1 mt -58.68 -41.0 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.22 70.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.27 -44.92 76.09 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.989 0.805 . . . . 1.0 110.624 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.26 79.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 1.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -62.67 -41.42 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.192 0.52 . . . . 1.0 110.734 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.16 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -87.1 18.12 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.674 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 23.1 tp -62.68 -40.59 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.763 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 77.5 tt0 -52.2 -31.27 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.522 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 106' ' ' GLU . 11.7 p-80 43.01 -164.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.72 0.295 . . . . 1.0 110.526 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -159.82 158.3 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -150.92 134.16 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.029 0.442 . . . . 1.0 110.541 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.5 m170 47.97 84.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.746 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -64.89 -44.09 90.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.507 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.589 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.64 -45.77 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 t70 46.79 74.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 1.0 110.946 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' ASN . 96.2 mt-30 -51.38 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.981 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 6' ' ' PRO . 7.1 m120 51.08 103.45 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.966 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 53.9 Cg_exo -52.08 -158.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.899 1.733 . . . . 1.0 111.972 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 55.1 tt0 92.6 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.213 -0.929 . . . . 1.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 6' ' ' PRO . 31.6 mp0 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 1.0 110.652 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -57.59 -17.86 16.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 1.0 110.277 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' GLU . 2.2 p90 -50.3 -15.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.432 0.634 . . . . 1.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.84 -20.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.486 -0.759 . . . . 1.0 110.531 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' VAL . 14.0 tm-20 -60.86 -53.9 51.69 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.8 1.313 . . . . 1.0 111.112 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.5 -31.57 0.03 OUTLIER Glycine 0 N--CA 1.47 0.924 0 O-C-N 124.721 1.263 . . . . 1.0 110.823 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLU . 28.8 t -74.67 -54.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.489 -0.418 . . . . 1.0 110.755 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -42.31 -67.5 0.26 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 122.401 -0.187 . . . . 1.0 110.509 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HG3' ' H ' ' A' ' 17' ' ' TYR . 2.9 pt20 -49.82 -52.34 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' H ' ' HG3' ' A' ' 16' ' ' GLN . 2.9 m-85 -53.51 -65.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.634 -0.666 . . . . 1.0 110.872 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.55 -70.69 0.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.032 -0.358 . . . . 1.0 110.032 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' GLN . . . -103.41 -120.99 0.19 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.447 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.82 -93.33 0.39 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 54.47 38.49 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.624 -0.339 . . . . 1.0 110.221 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -64.86 -53.95 38.61 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.624 0.578 . . . . 1.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -66.52 -44.1 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 83.2 tt0 -63.46 -43.64 96.79 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.179 -0.325 . . . . 1.0 110.763 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -53.07 -24.93 11.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 1.0 110.569 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -45.85 -28.72 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 121.983 -0.448 . . . . 1.0 110.188 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' OD1' ' O ' ' A' ' 24' ' ' GLU . 34.5 p-10 -68.28 -48.44 64.98 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.68 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 4.4 mm? -54.54 -54.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.891 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.87 -45.43 92.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.335 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -53.55 -37.96 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.65 -44.42 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.8 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.908 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.69 -32.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.386 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.49 -32.68 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.081 -0.387 . . . . 1.0 110.593 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.91 -38.57 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.881 0.738 . . . . 1.0 110.52 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -163.05 96.85 1.07 Allowed Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -82.05 55.78 5.57 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 121.11 1.206 . . . . 1.0 112.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -130.88 -14.44 3.52 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.676 0.39 . . . . 1.0 110.311 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.96 93.25 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 1.0 110.474 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -53.48 -38.42 63.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.715 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.65 -33.39 22.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 1.0 110.208 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -78.12 -38.58 43.58 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.51 -0.743 . . . . 1.0 110.415 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.86 -36.44 70.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.224 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.43 -40.55 74.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.328 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -62.83 -41.44 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 1.0 110.712 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -52.46 -48.7 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 124.939 1.399 . . . . 1.0 110.842 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.51 -48.65 48.48 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.044 -0.823 . . . . 1.0 111.044 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -37.7 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.506 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.29 -51.23 66.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.306 -0.557 . . . . 1.0 110.687 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.89 -42.15 97.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.33 -49.61 74.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.58 -29.82 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.037 -0.265 . . . . 1.0 110.67 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 49' ' ' ALA . 7.4 mp -80.48 9.6 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.642 0.588 . . . . 1.0 110.618 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 58.2 mm-40 73.68 25.45 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.439 . . . . 1.0 110.529 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -108.16 65.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 1.0 110.21 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.55 -38.26 83.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.215 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.43 -52.38 58.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.98 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.2 mp0 -68.41 -38.54 81.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.07 -39.16 63.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.439 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.59 -33.41 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.021 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.27 -38.26 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.874 -0.516 . . . . 1.0 110.602 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -65.84 -51.17 61.11 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.478 0.486 . . . . 1.0 110.537 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.27 -44.83 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -60.7 -40.47 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.517 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 28.6 t80 -60.39 -45.77 92.36 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.443 1.089 . . . . 1.0 110.176 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.05 -44.29 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.455 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -68.6 -38.54 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 1.0 110.187 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -74.79 -69.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.17 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.763 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 88.1 t -48.97 -47.04 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 124.361 1.038 . . . . 1.0 110.659 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 72' ' ' ASP . 35.3 mt -105.24 117.04 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.778 0.799 . . . . 1.0 109.656 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.13 26.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.497 -0.752 . . . . 1.0 110.529 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' ILE . 5.9 t70 -52.4 -53.29 47.04 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.691 -0.631 . . . . 1.0 110.539 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' ASP . 68.3 tt0 30.45 49.51 0.07 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.327 0.584 . . . . 1.0 111.025 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 66.0 t80 -164.44 22.95 0.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.358 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -101.48 106.25 17.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 122.312 1.053 . . . . 1.0 109.776 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.74 -37.1 82.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.69 -46.0 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.538 ' CD2' ' NH1' ' A' ' 102' ' ' ARG . 41.2 m0 -59.82 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.23 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.15 87.56 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.201 -0.312 . . . . 1.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.05 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.463 0.477 . . . . 1.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.07 -43.44 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.55 52.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -50.58 -37.11 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.181 0.515 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 86' ' ' LEU . 10.8 mp -72.89 -28.41 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -67.41 -13.62 62.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.945 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.19 60.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -128.81 144.6 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.294 0.568 . . . . 1.0 110.448 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -69.76 91.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.165 0.507 . . . . 1.0 110.471 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.88 -153.2 13.36 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -72.81 152.42 41.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 1.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.94 -14.91 35.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.467 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.18 -35.72 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.325 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.93 -51.69 55.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.403 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -25.39 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.703 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -67.09 -49.76 63.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.779 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.7 mp -58.39 -44.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.089 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.82 65.6 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.87 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.016 0.822 . . . . 1.0 110.457 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.86 -46.36 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.824 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 79' ' ' TRP . 71.3 ttp85 -59.73 -41.35 90.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.832 0.349 . . . . 1.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.76 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.131 -0.355 . . . . 1.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.97 -47.79 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.016 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD2' ' H ' ' A' ' 106' ' ' GLU . 0.5 OUTLIER 51.74 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.33 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.49 ' H ' ' CD2' ' A' ' 105' ' ' LEU . 83.1 tt0 -63.59 132.97 52.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.072 0.463 . . . . 1.0 110.454 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 106' ' ' GLU . 5.4 m-70 -172.49 -63.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' HIS . 96.7 m-70 50.18 -97.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 1.0 110.36 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 36.9 m80 44.69 -90.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.773 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' HIS . 15.1 p80 -153.34 148.53 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.488 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -88.06 -11.83 46.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.895 -1.05 . . . . 1.0 110.618 179.844 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.079 -0.712 . . . . 1.0 109.079 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -74.85 140.27 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.24 105.9 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.229 0.538 . . . . 1.0 110.523 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -68.96 -32.43 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.998 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 7' ' ' GLU . 59.7 m-20 -134.86 84.14 38.92 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.744 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.12 43.43 0.14 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.328 2.019 . . . . 1.0 112.052 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 5' ' ' ASN . 78.2 tt0 -65.3 -20.89 66.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.227 -0.921 . . . . 1.0 110.346 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.75 -34.43 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.349 0.406 . . . . 1.0 110.754 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -57.62 -14.92 6.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.647 0.26 . . . . 1.0 110.386 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.6 p90 -54.54 -16.69 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 1.0 110.245 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.0 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.347 -0.845 . . . . 1.0 111.112 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' TYR . 25.5 tp10 -53.9 -50.79 65.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.224 -1.353 . . . . 1.0 110.736 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -35.51 -41.7 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 O-C-N 124.704 1.253 . . . . 1.0 111.0 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.84 -55.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 122.559 -0.377 . . . . 1.0 110.527 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' ALA . 51.9 mt -42.87 -68.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -44.09 -53.91 5.99 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -50.97 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.679 -0.638 . . . . 1.0 111.239 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.67 -73.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.985 0.421 . . . . 1.0 110.645 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -74.29 102.95 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.02 58.43 0.79 Allowed Glycine 0 N--CA 1.459 0.175 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -113.0 60.95 0.64 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.639 -0.33 . . . . 1.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -45.9 -40.47 10.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 17.3 m -56.58 -48.92 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.556 0.535 . . . . 1.0 110.216 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.15 -40.62 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.913 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 p -49.93 -33.43 17.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.509 -0.477 . . . . 1.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.6 mp -58.16 -40.81 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.04 -49.14 78.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.32 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.8 mm? -64.58 -46.17 83.89 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 124.104 0.878 . . . . 1.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.87 -45.64 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.297 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -51.76 -39.84 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.595 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.85 -43.79 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.86 -54.58 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.925 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.414 HG12 ' CD1' ' A' ' 42' ' ' TYR . 50.7 mt -54.65 -35.81 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.06 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -76.18 -33.37 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.043 -0.411 . . . . 1.0 110.364 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -43.24 92.71 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.794 0.684 . . . . 1.0 110.677 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.72 93.56 0.46 Allowed Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -87.67 103.42 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.273 1.316 . . . . 1.0 111.827 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -165.59 45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.14 -0.35 . . . . 1.0 110.195 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.562 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -157.6 99.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 1.0 110.412 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -48.52 -24.98 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 122.361 -0.212 . . . . 1.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -50.87 -42.42 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.024 0.44 . . . . 1.0 110.372 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 2.3 p90 -81.73 -37.52 27.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.315 -0.865 . . . . 1.0 110.033 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.065 -178.578 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 78' ' ' VAL . 5.4 tp -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtp -61.57 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.722 -0.791 . . . . 1.0 110.516 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -49.02 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.945 1.403 . . . . 1.0 111.049 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.73 49.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.171 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -51.04 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.751 -0.379 . . . . 1.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.08 -43.08 99.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.669 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -60.08 -50.11 75.0 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.471 -0.491 . . . . 1.0 110.445 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.52 -29.91 69.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.19 -0.319 . . . . 1.0 110.65 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 52.2 mt -76.25 3.73 10.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.556 0.535 . . . . 1.0 110.761 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 35.4 tt0 79.93 26.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.797 0.439 . . . . 1.0 110.256 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -111.64 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.41 . . . . 1.0 110.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -58.31 -40.44 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.238 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.5 -50.84 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.01 -40.78 91.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.543 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.92 -37.24 63.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.5 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.01 -31.12 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.05 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.77 -37.01 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.697 -0.627 . . . . 1.0 110.325 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.31 -51.71 54.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.499 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.07 -43.65 97.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.86 -41.18 90.9 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.447 -0.501 . . . . 1.0 110.621 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 40.7 t80 -59.18 -41.58 88.79 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.452 1.095 . . . . 1.0 110.084 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 70' ' ' ILE . 76.2 t -68.8 -45.64 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.649 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.75 -39.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.107 0.48 . . . . 1.0 109.994 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.48 -65.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.836 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 93.2 t -55.28 -46.23 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 124.344 1.028 . . . . 1.0 110.268 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 72' ' ' ASP . 45.6 mt -112.88 127.87 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 1.0 109.808 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.58 18.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.512 -0.743 . . . . 1.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 70' ' ' ILE . 86.3 m-20 -78.48 40.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.769 -0.582 . . . . 1.0 110.27 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' NE1' ' A' ' 79' ' ' TRP . 15.7 pt-20 -58.68 -24.46 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.715 -0.221 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -54.44 -29.59 49.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.222 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -46.51 106.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.065 0.936 . . . . 1.0 110.54 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.41 -33.65 76.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.76 -43.72 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.683 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 44' ' ' LEU . 76.8 t -65.06 -44.95 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.52 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 45.2 m95 -64.85 -49.88 68.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.38 83.39 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.225 -0.297 . . . . 1.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.65 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.786 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.63 -36.17 75.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.37 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.24 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.979 -0.288 . . . . 1.0 110.635 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.06 -41.22 59.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.31 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.21 85.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.03 0.443 . . . . 1.0 110.655 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.0 -32.12 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -38.58 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.966 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -112.01 75.18 0.9 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.193 0.521 . . . . 1.0 110.491 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CG1' ' N ' ' A' ' 90' ' ' GLU . 14.4 tt -129.22 168.49 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 123.19 0.596 . . . . 1.0 110.759 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' ' CG1' ' A' ' 89' ' ' ILE . 68.7 mm-40 -44.75 -51.12 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.84 115.27 0.97 Allowed Glycine 0 N--CA 1.465 0.597 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 94' ' ' VAL . 25.2 pttm -76.74 -42.49 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 1.0 110.495 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 48.44 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.368 0.604 . . . . 1.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 94' ' ' VAL . 45.6 t -135.28 -11.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.2 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -58.43 -52.33 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.395 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.07 79.3 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.99 -0.284 . . . . 1.0 110.895 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.12 -51.99 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.441 -0.504 . . . . 1.0 110.786 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.88 -40.74 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.76 -53.77 51.5 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.019 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -54.82 -43.51 73.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 124.007 0.817 . . . . 1.0 110.545 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.21 -48.63 64.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.78 -40.76 80.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 1.0 110.664 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.92 83.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -89.4 12.76 15.4 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.615 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 106' ' ' GLU . 1.8 tt -90.0 113.09 24.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.38 0.609 . . . . 1.0 109.783 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.511 ' N ' HD23 ' A' ' 105' ' ' LEU . 98.5 mt-10 -102.83 159.18 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.272 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -140.96 27.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 1.0 110.162 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -166.94 125.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.416 ' H ' ' H ' ' A' ' 110' ' ' HIS . 0.1 OUTLIER -179.3 5.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.484 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.416 ' H ' ' H ' ' A' ' 109' ' ' HIS . 44.6 t-80 -77.89 43.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.385 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.534 ' ND1' ' N ' ' A' ' 112' ' ' HIS . 61.6 t-80 55.55 164.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.598 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.534 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 98.4 m-70 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.192 -0.67 . . . . 1.0 109.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.8 m -81.72 135.45 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.234 0.54 . . . . 1.0 110.34 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' H ' ' H ' ' A' ' 4' ' ' GLN . 46.1 t0 -172.39 4.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.045 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.401 ' H ' ' H ' ' A' ' 3' ' ' ASP . 95.0 mm-40 -75.61 9.15 2.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.181 0.515 . . . . 1.0 110.131 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -163.96 135.8 3.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.77 -0.65 . . . . 1.0 111.5 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.95 69.28 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 121.507 1.471 . . . . 1.0 111.875 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.93 -45.39 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.166 -0.959 . . . . 1.0 109.989 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.796 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 15.1 pt-20 -54.94 -27.83 46.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.374 0.421 . . . . 1.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' LEU . 38.5 m-85 -48.48 -7.49 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 O-C-N 122.276 -0.265 . . . . 1.0 111.227 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -54.56 72.63 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.71 -0.619 . . . . 1.0 111.73 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 9' ' ' TYR . 3.5 pp -126.64 -37.89 2.12 Favored 'General case' 0 CA--C 1.482 -1.641 0 CA-C-O 122.871 1.32 . . . . 1.0 111.393 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLY . 58.2 mp0 -51.36 -48.61 62.44 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 112.222 -2.263 . . . . 1.0 109.937 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -30.71 -56.93 0.25 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.714 1.259 . . . . 1.0 111.197 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.8 -54.74 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.147 0.474 . . . . 1.0 110.595 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 19' ' ' ALA . 21.0 mt -43.44 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.442 -0.162 . . . . 1.0 110.814 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -43.38 -60.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.397 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -44.22 -62.57 1.11 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.588 -0.695 . . . . 1.0 110.823 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.08 -80.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.378 0.424 . . . . 1.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.588 ' O ' ' O ' ' A' ' 15' ' ' LEU . . . -104.48 131.72 51.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.428 0.632 . . . . 1.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ALA . . . -33.08 -71.12 0.11 Allowed Glycine 0 N--CA 1.473 1.114 0 O-C-N 121.843 -0.536 . . . . 1.0 112.129 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 49.94 32.68 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.571 -0.37 . . . . 1.0 110.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.26 -50.49 71.53 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.132 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' ILE . 19.0 m -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.508 -0.769 . . . . 1.0 110.278 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -55.94 -36.13 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.245 -0.284 . . . . 1.0 110.737 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -63.87 -24.37 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 1.0 110.504 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 23' ' ' THR . 1.8 tp -57.94 -35.52 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.606 0.717 . . . . 1.0 110.495 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -65.99 -34.97 79.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.05 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -73.1 -47.62 42.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.88 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.56 -43.08 97.67 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.364 -0.534 . . . . 1.0 110.197 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -55.39 -36.83 66.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.659 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -71.92 -41.03 68.37 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.986 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.7 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.319 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.0 mt -66.28 -28.81 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.453 0.644 . . . . 1.0 110.274 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.98 -33.76 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.119 -0.363 . . . . 1.0 110.473 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.61 -47.76 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.799 0.687 . . . . 1.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -175.13 113.16 0.28 Allowed Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 118.621 -0.704 . . . . 1.0 110.634 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 58.6 Cg_endo -83.38 -145.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.088 1.192 . . . . 1.0 111.898 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 43.0 tt0 78.43 32.31 0.33 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.16 0.505 . . . . 1.0 110.714 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 21.2 mt-10 -148.18 90.07 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -49.07 -28.38 4.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.638 0.733 . . . . 1.0 111.141 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' H ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.48 -39.56 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.968 -179.112 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 2.1 p90 -78.2 -32.59 50.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.935 0.874 . . . . 1.0 110.211 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.589 ' CD1' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.48 -41.04 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.085 -0.961 . . . . 1.0 109.932 -177.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.12 -43.37 74.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.281 -0.872 . . . . 1.0 109.762 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.14 -46.31 84.67 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.779 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -52.6 -49.77 64.38 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.882 1.364 . . . . 1.0 110.297 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.01 -48.0 53.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.38 -34.44 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.676 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.49 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.742 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD12 ' OE1' ' A' ' 58' ' ' GLU . 4.5 mm? -59.59 -38.91 82.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.14 -49.36 72.45 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 120.139 -0.625 . . . . 1.0 110.578 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.86 -30.5 67.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.781 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -79.67 11.65 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.551 0.532 . . . . 1.0 110.776 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 71.06 27.68 3.27 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.844 0.458 . . . . 1.0 110.546 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -111.56 64.49 0.62 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.441 0.639 . . . . 1.0 110.215 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -56.21 -38.67 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.119 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -51.05 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.993 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.552 ' OE1' HD12 ' A' ' 50' ' ' LEU . 83.9 mt-10 -65.34 -39.33 92.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.38 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.92 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 64' ' ' ASN . 24.6 t -59.57 -41.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.47 -35.49 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.77 -0.581 . . . . 1.0 110.585 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.32 -53.42 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.4 0.438 . . . . 1.0 110.384 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -57.54 -42.86 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.18 -0.608 . . . . 1.0 110.646 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' ND2' HG12 ' A' ' 60' ' ' VAL . 98.4 m-20 -60.03 -34.98 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.291 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 45.4 t80 -58.48 -42.72 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.33 1.019 . . . . 1.0 109.839 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.318 0.386 . . . . 1.0 110.729 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.59 -41.3 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -74.63 -70.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 95.4 t -47.81 -48.19 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 124.31 1.006 . . . . 1.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.604 ' C ' ' H ' ' A' ' 72' ' ' ASP . 76.7 mt -107.06 128.85 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.751 0.786 . . . . 1.0 109.727 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.36 25.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.451 -0.78 . . . . 1.0 110.989 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.2 t0 -46.33 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.776 -0.578 . . . . 1.0 110.564 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 38.49 39.29 0.3 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.991 0.424 . . . . 1.0 110.68 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -146.74 -45.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.573 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -43.8 117.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.456 1.122 . . . . 1.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -25.93 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.667 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.13 -46.67 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.676 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.46 -48.53 84.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.305 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -61.77 -49.61 75.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.204 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.01 83.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.208 -0.307 . . . . 1.0 110.543 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.93 81.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.02 -41.04 91.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.509 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.13 -51.88 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 1.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.39 -42.32 31.52 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.349 0.406 . . . . 1.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.22 94.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 1.0 110.555 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.08 -24.06 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -64.28 -17.78 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.628 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -141.72 72.0 1.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.2 tt -129.43 158.32 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.137 0.494 . . . . 1.0 110.444 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.01 139.72 45.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.333 0.587 . . . . 1.0 110.412 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.68 148.03 0.84 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -119.46 96.29 5.14 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.442 0.639 . . . . 1.0 109.849 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' GLU . 96.9 mt-10 -118.52 51.26 1.11 Allowed 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.112 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' GLU . 26.9 m 34.82 30.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.888 -0.597 . . . . 1.0 111.351 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 93' ' ' GLU . 39.5 tp10 -70.23 -48.61 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.567 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.91 -22.87 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.99 -49.14 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.558 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.7 mp -57.81 -45.86 87.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.25 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.893 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.92 -45.65 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.001 0.813 . . . . 1.0 110.457 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.98 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 1.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -60.68 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.655 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.25 73.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 1.0 110.93 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -95.69 17.38 15.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.526 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -63.18 110.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 1.0 109.936 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.434 ' N ' HD13 ' A' ' 105' ' ' LEU . 95.4 mt-10 -78.8 -80.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.452 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -160.37 -21.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 1.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -73.27 110.55 7.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 1.0 110.162 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -66.67 -39.95 88.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -64.19 135.79 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.536 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -75.74 148.35 38.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.63 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.657 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.8 t -86.49 129.67 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.1 t0 52.92 48.84 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 1.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -155.11 -25.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.938 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -37.8 104.22 0.28 Allowed Pre-proline 0 CA--C 1.541 0.621 0 CA-C-O 118.91 -0.567 . . . . 1.0 111.973 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.59 14.16 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 121.743 1.628 . . . . 1.0 112.227 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 76.4 mm-40 -66.68 -17.41 64.83 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.181 -0.949 . . . . 1.0 110.621 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -70.15 -37.05 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.072 0.463 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.68 -24.43 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 1.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.45 -16.75 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.584 -0.697 . . . . 1.0 110.434 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.2 pp -41.2 -23.03 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.441 -0.787 . . . . 1.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -58.35 -49.8 75.91 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 124.81 1.319 . . . . 1.0 110.668 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -37.4 -40.32 0.62 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.766 1.291 . . . . 1.0 110.925 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.85 -57.99 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.7 mt -43.31 -64.09 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.371 -0.233 . . . . 1.0 110.371 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 19' ' ' ALA . 33.8 mt-30 -50.3 -55.12 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.503 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -46.44 -60.23 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.615 -0.678 . . . . 1.0 110.831 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.62 -65.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.975 0.416 . . . . 1.0 110.628 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -98.91 -131.07 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.588 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.15 -94.17 0.92 Allowed Glycine 0 N--CA 1.475 1.244 0 N-CA-C 111.148 -0.781 . . . . 1.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 m120 55.94 34.84 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.625 -0.338 . . . . 1.0 110.172 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' O ' ' OG ' ' A' ' 25' ' ' SER . 97.0 m-85 -63.1 -52.19 63.63 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.629 0.581 . . . . 1.0 110.18 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -64.93 -42.77 94.4 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.7 0.625 . . . . 1.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.44 -43.57 98.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.107 -0.371 . . . . 1.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 41.5 p -53.4 -26.99 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.013 0.435 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -55.25 -36.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.96 -52.98 36.12 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.102 -0.639 . . . . 1.0 110.802 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 3.7 mm? -59.47 -49.42 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.471 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.64 -45.47 92.7 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.272 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -46.48 -36.32 6.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.645 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.4 -35.84 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.373 0.42 . . . . 1.0 110.474 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.93 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.923 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.22 -40.03 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.845 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -65.27 -37.46 87.27 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.097 -0.377 . . . . 1.0 110.574 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.41 -38.62 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.789 0.68 . . . . 1.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -152.53 89.25 3.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.041 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -85.06 -9.0 8.82 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 121.415 1.41 . . . . 1.0 112.054 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.09 -7.81 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 1.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 42' ' ' TYR . 96.6 mt-10 -86.19 112.08 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 1.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 t -64.72 -45.69 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 1.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -51.57 -32.62 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 1.0 110.39 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 m-85 -71.13 -36.6 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.479 -0.763 . . . . 1.0 110.33 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -72.17 -32.67 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.305 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 tp -52.71 -43.36 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.599 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.3 tpt -61.18 -43.55 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.845 -0.742 . . . . 1.0 110.466 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -50.92 -48.28 60.73 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.949 1.406 . . . . 1.0 110.534 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.34 -49.98 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.17 -40.03 80.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.997 -0.281 . . . . 1.0 110.26 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.49 65.92 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.037 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.45 -41.05 93.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.331 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -63.86 -49.01 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.287 0.565 . . . . 1.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.9 -30.67 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.191 -0.318 . . . . 1.0 110.836 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -77.94 7.66 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.598 0.561 . . . . 1.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 72.55 26.18 2.55 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.803 0.441 . . . . 1.0 110.482 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -108.77 68.95 0.7 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.29 0.567 . . . . 1.0 110.199 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 88' ' ' TYR . 5.5 m-85 -57.71 -40.22 79.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.01 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 -50.18 72.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.772 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.8 -38.37 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.392 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.17 82.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.702 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.26 -41.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -57.68 -36.97 72.63 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.693 -0.629 . . . . 1.0 110.545 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.72 -46.21 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.421 0.451 . . . . 1.0 110.373 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -60.28 -47.72 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.441 . . . . 1.0 110.157 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.7 t30 -62.24 -34.24 76.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.278 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.767 ' O ' HG12 ' A' ' 69' ' ' VAL . 86.4 t80 -63.47 -47.08 83.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.351 1.032 . . . . 1.0 109.986 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.63 -31.4 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.523 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 7.0 mt -89.33 -26.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.697 0.284 . . . . 1.0 110.482 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -73.6 -79.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.334 -0.228 . . . . 1.0 111.036 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 65' ' ' TYR . 2.6 p -48.81 -41.47 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 O-C-N 124.317 1.011 . . . . 1.0 110.597 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.561 HG13 HG13 ' A' ' 69' ' ' VAL . 54.4 mt -112.28 130.17 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 122.0 0.905 . . . . 1.0 109.547 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -78.7 22.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.519 -0.738 . . . . 1.0 110.326 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 70' ' ' ILE . 64.8 t0 -83.85 78.04 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.78 -0.575 . . . . 1.0 110.33 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.05 -4.51 27.27 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 69.2 t80 -80.11 25.03 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -101.71 105.04 15.88 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.522 1.153 . . . . 1.0 110.089 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -60.58 -40.9 93.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.363 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.481 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.76 -50.51 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -60.2 -47.59 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.66 0.267 . . . . 1.0 110.319 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.14 96.07 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.246 -0.284 . . . . 1.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.86 73.93 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.447 0.467 . . . . 1.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.63 -38.21 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.413 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.16 58.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -51.24 -41.95 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.79 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 1.0 110.655 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.54 -32.94 66.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.668 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -62.89 -15.99 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.926 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.456 ' O ' ' CE1' ' A' ' 56' ' ' TYR . 95.7 m-85 -137.76 59.49 1.66 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.253 0.549 . . . . 1.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.75 144.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.209 0.528 . . . . 1.0 110.44 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.92 139.81 56.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 1.0 110.601 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.13 60.33 2.56 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.29 131.41 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 1.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.05 -89.11 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.444 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.21 4.69 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.491 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.63 -52.11 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 1.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.92 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.76 -50.95 61.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.737 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.89 -43.46 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.28 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.525 -0.47 . . . . 1.0 111.174 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.8 -42.02 83.37 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.955 0.784 . . . . 1.0 110.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.72 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.41 -38.78 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.83 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.244 -0.285 . . . . 1.0 110.741 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' GLU . 19.7 mmtp -62.71 -38.33 90.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.666 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.5 tt -48.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.268 0.556 . . . . 1.0 110.068 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 104' ' ' LYS . 81.1 tt0 -106.78 -77.78 0.59 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.328 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -76.88 157.07 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -151.93 -67.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.158 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 111' ' ' HIS . 47.2 m170 49.54 -99.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 54.44 -83.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' HIS . 59.3 t-80 54.78 106.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.634 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.631 -179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 3' ' ' ASP . 27.4 m -63.31 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.601 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 2' ' ' VAL . 89.6 m-20 52.87 79.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.34 . . . . 1.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.11 132.05 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.142 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.39 147.34 97.35 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.645 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.29 -93.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 121.878 1.719 . . . . 1.0 112.007 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 71.39 -48.12 0.67 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.189 -0.945 . . . . 1.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 10' ' ' TYR . 96.4 mt-10 -76.56 -35.92 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.323 0.582 . . . . 1.0 110.715 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -55.46 -4.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.0 110.36 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' C ' ' H ' ' A' ' 12' ' ' GLU . 1.5 p90 -70.19 -10.05 57.65 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 122.114 0.959 . . . . 1.0 111.228 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -50.55 -13.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.353 -0.842 . . . . 1.0 109.946 179.221 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.943 ' N ' HD13 ' A' ' 11' ' ' LEU . 69.3 tt0 -62.5 -52.44 63.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 124.737 1.273 . . . . 1.0 110.399 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.46 -29.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.788 1.305 . . . . 1.0 111.374 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.8 t -80.37 -52.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 122.456 -0.437 . . . . 1.0 110.499 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ALA . 97.3 mt -44.63 -66.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.416 -0.178 . . . . 1.0 110.61 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -46.48 -53.79 10.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.99 0.424 . . . . 1.0 110.221 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -61.22 2.42 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.63 -0.669 . . . . 1.0 110.803 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.85 -75.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.331 0.395 . . . . 1.0 110.347 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.05 114.71 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.83 56.55 4.26 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.119 -0.793 . . . . 1.0 111.119 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 25.3 p30 -122.44 56.58 1.11 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.826 0.346 . . . . 1.0 110.653 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -43.38 -38.75 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.237 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.1 t -57.57 -51.16 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.584 0.552 . . . . 1.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 23' ' ' THR . 88.7 mt-10 -53.67 -43.77 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.172 -0.33 . . . . 1.0 110.749 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -46.24 -24.3 0.45 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.617 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -57.11 -42.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.96 -51.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.414 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.48 -44.57 96.06 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.146 0.904 . . . . 1.0 110.781 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' CE1' ' NZ ' ' A' ' 46' ' ' LYS . 28.3 t80 -58.86 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.08 -37.52 61.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.394 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.5 -47.55 63.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.73 -54.69 41.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.666 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.6 mp -59.11 -43.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.062 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -50.82 -33.31 23.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.118 -0.364 . . . . 1.0 110.302 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.5 mt -73.43 -39.69 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.553 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 21.7 p-10 -173.46 115.3 0.35 Allowed Pre-proline 0 CA--C 1.546 0.818 0 CA-C-O 118.529 -0.748 . . . . 1.0 110.923 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.24 24.61 0.74 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 120.876 1.051 . . . . 1.0 112.245 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -89.31 -6.39 56.75 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.089 -0.382 . . . . 1.0 110.699 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 4.2 pt-20 -91.68 99.4 12.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 1.0 110.38 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' TRP . 65.9 p -66.55 -45.19 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 1.0 110.913 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -47.51 -28.41 2.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.025 0.441 . . . . 1.0 110.111 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CD2' ' OE2' ' A' ' 39' ' ' GLU . 8.6 m-85 -78.3 -32.54 49.44 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.406 -0.808 . . . . 1.0 110.239 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.5 m95 -73.7 -36.57 65.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.335 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 tp -56.87 -39.08 73.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.52 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.4 tpp -67.41 -39.22 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.859 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 21.3 tptm -58.35 -47.03 85.08 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.917 1.386 . . . . 1.0 110.761 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 -48.13 73.83 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.67 -33.84 73.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 1.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.628 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -67.47 -50.13 60.47 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.57 -45.89 85.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.284 -0.871 . . . . 1.0 110.601 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -56.22 -50.6 70.82 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.465 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.35 -26.17 68.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 122.239 -0.288 . . . . 1.0 110.567 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.6 mp -79.67 13.11 2.22 Favored 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 123.628 0.58 . . . . 1.0 110.3 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.42 5.63 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.395 0.678 . . . . 1.0 110.438 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.477 HH11 ' HB3' ' A' ' 53' ' ' LEU . 60.8 mtt85 -92.61 61.9 3.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.361 0.601 . . . . 1.0 109.897 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -55.89 -39.35 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.327 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.0 pt-20 -66.66 -51.18 59.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 15.8 tt0 -63.07 -42.31 99.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.264 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.46 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.327 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.561 HG13 ' HZ1' ' A' ' 82' ' ' LYS . 14.0 t -58.64 -35.52 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.8 -38.55 78.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.868 -0.52 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 m -66.4 -52.0 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.473 0.483 . . . . 1.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -59.56 -43.43 93.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.505 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' ND2' HG12 ' A' ' 60' ' ' VAL . 82.9 m-20 -62.87 -38.49 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.5 -0.48 . . . . 1.0 110.375 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 69' ' ' VAL . 69.3 t80 -58.58 -45.07 89.84 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.346 1.029 . . . . 1.0 109.811 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 80.1 t -66.76 -42.41 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 123.287 0.367 . . . . 1.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.26 -23.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.38 0.609 . . . . 1.0 110.375 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 64' ' ' ASN . 49.3 t30 -84.73 -74.99 0.37 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 70' ' ' ILE . 1.6 p -50.59 -43.71 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 124.367 1.042 . . . . 1.0 110.469 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.686 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.4 mt -102.38 132.5 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.584 1.183 . . . . 1.0 109.331 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -95.26 27.03 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.463 -0.773 . . . . 1.0 110.587 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 70' ' ' ILE . 81.6 m-20 -82.82 43.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.679 -0.638 . . . . 1.0 110.076 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.53 73.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.01 0.433 . . . . 1.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.567 ' N ' ' O ' ' A' ' 72' ' ' ASP . 65.8 t80 -166.89 30.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.541 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -106.72 106.71 17.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.355 1.074 . . . . 1.0 110.076 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.07 -38.73 92.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.434 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.52 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.561 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.56 -47.31 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -58.6 -44.02 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 1.0 110.309 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -38.07 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.161 -0.337 . . . . 1.0 110.631 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.24 78.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' HZ1' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -61.45 -45.06 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.167 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.79 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -52.47 -41.68 63.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.168 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.06 89.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 1.0 110.492 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' ILE . 90.4 mt -72.97 -29.21 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.626 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.76 -17.16 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.028 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -129.15 53.22 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 91' ' ' GLY . 17.5 tt -126.8 132.67 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.104 0.478 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 56.98 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 1.0 110.446 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -145.16 -89.97 0.1 Allowed Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -162.63 73.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 1.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 43.7 mp0 -84.26 163.51 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.276 0.56 . . . . 1.0 110.753 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.9 p -59.57 -10.33 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.05 -49.78 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 1.0 110.432 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.48 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.772 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.24 -44.87 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.942 0.401 . . . . 1.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.54 -44.91 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.08 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.11 79.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.88 -45.79 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.937 0.773 . . . . 1.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.71 95.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.775 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -62.88 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 1.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.37 -28.07 60.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 1.0 110.878 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -95.9 -0.98 50.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.487 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.2 tt -56.36 105.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.308 0.575 . . . . 1.0 109.708 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -98.0 142.5 29.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.154 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -84.3 168.31 15.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 1.0 110.118 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -65.72 144.19 57.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 1.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -124.03 133.45 53.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.392 0.615 . . . . 1.0 110.656 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -149.76 146.39 27.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.446 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -86.88 156.29 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.619 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.414 ' OXT' ' CG ' ' A' ' 112' ' ' HIS . 84.7 t60 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.529 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.179 -0.674 . . . . 1.0 109.179 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.89 -44.44 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -147.9 -142.47 0.13 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.903 0.382 . . . . 1.0 110.586 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.527 ' CD ' ' H ' ' A' ' 4' ' ' GLN . 3.6 mp0 -62.48 -39.09 92.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.923 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' GLU . 4.7 t-20 52.02 79.89 0.32 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.203 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.14 34.67 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.373 2.048 . . . . 1.0 111.799 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' ASN . 81.7 tt0 -58.55 -18.08 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.193 -0.942 . . . . 1.0 110.721 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.76 -37.61 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.409 0.623 . . . . 1.0 110.701 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.41 -16.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -56.68 -12.16 1.71 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.676 -0.64 . . . . 1.0 110.13 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -43.93 -21.99 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.357 -0.839 . . . . 1.0 110.801 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE2' ' CE1' ' A' ' 29' ' ' PHE . 19.2 pt-20 -54.41 -49.46 69.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.857 1.348 . . . . 1.0 110.479 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -36.08 -37.54 0.18 Allowed Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.717 1.26 . . . . 1.0 110.986 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -54.41 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.497 -0.413 . . . . 1.0 110.631 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 19' ' ' ALA . 69.0 mt -43.51 -63.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.439 -0.163 . . . . 1.0 110.608 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 22' ' ' TYR . 60.4 tp60 -47.24 -54.83 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.498 -0.481 . . . . 1.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -50.39 -61.33 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.591 -0.693 . . . . 1.0 111.052 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.3 -72.43 0.33 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.493 0.663 . . . . 1.0 110.658 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -88.45 86.72 7.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.563 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.23 80.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.482 -0.647 . . . . 1.0 111.482 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' ALA . 1.3 m-20 -127.43 58.87 1.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.805 0.336 . . . . 1.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 m-85 -42.54 -39.51 2.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.326 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.0 t -59.83 -48.84 80.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.427 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' N ' HG23 ' A' ' 23' ' ' THR . 48.9 tp10 -56.54 -46.31 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.668 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -50.9 -26.78 6.31 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.656 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' THR . 1.6 tp -57.99 -44.53 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.297 0.57 . . . . 1.0 110.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 92.1 m-20 -55.1 -44.84 75.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.313 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -67.6 -43.56 80.18 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.158 0.911 . . . . 1.0 110.563 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' OE2' ' A' ' 12' ' ' GLU . 37.6 m-85 -59.33 -48.55 81.19 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.046 -0.661 . . . . 1.0 110.384 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -55.35 -40.73 71.6 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.593 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -63.02 -46.01 89.64 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.163 -0.615 . . . . 1.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.42 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.515 -0.474 . . . . 1.0 110.701 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.62 -48.16 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.675 0.609 . . . . 1.0 109.896 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -56.17 -38.33 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.085 -0.384 . . . . 1.0 110.531 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.27 -47.12 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.873 0.733 . . . . 1.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -170.62 109.46 0.43 Allowed Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.402 -0.809 . . . . 1.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.97 117.8 2.62 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 121.21 1.274 . . . . 1.0 111.931 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' H ' ' H ' ' A' ' 39' ' ' GLU . 41.7 tt0 -175.22 -14.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.11 0.481 . . . . 1.0 110.988 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' ' CE2' ' A' ' 43' ' ' TRP . 72.9 mt-10 -92.67 97.45 10.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.869 0.366 . . . . 1.0 110.549 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -65.0 -44.36 89.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.426 0.632 . . . . 1.0 111.251 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -51.28 -31.05 19.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 1.0 110.39 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -78.62 -36.76 43.67 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.398 -0.814 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CE2' ' O ' ' A' ' 39' ' ' GLU . 1.4 m95 -76.08 -27.61 57.25 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.29 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.21 -40.97 87.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.023 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 mmt -66.5 -36.89 83.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.441 0.463 . . . . 1.0 110.827 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HZ3' HD11 ' A' ' 50' ' ' LEU . 65.6 tttm -58.0 -48.65 79.37 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.923 1.389 . . . . 1.0 110.457 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.06 69.6 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.61 -28.68 70.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.809 0.338 . . . . 1.0 110.605 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -68.48 -50.34 53.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HZ3' ' A' ' 46' ' ' LYS . 26.0 mt -63.99 -43.49 95.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.192 -0.913 . . . . 1.0 110.682 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' ALA . 1.8 t80 -58.6 -50.61 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.33 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.77 -25.88 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.999 -0.281 . . . . 1.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.2 mp -78.63 16.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.504 0.503 . . . . 1.0 110.563 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 74.65 8.44 4.33 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.42 0.688 . . . . 1.0 110.458 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -102.74 89.24 3.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.267 0.556 . . . . 1.0 109.993 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.58 -35.97 57.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.789 0.804 . . . . 1.0 110.237 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.49 -47.94 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.163 -0.926 . . . . 1.0 111.066 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.31 -45.69 86.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.504 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB2' ' N ' ' A' ' 51' ' ' TYR . . . -56.57 -44.28 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' TYR . 40.8 t -61.0 -36.81 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.16 -35.93 74.39 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.789 -0.569 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.77 -49.64 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.392 0.433 . . . . 1.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 63' ' ' TYR . 1.6 t80 -50.35 -45.51 55.15 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.52 -0.472 . . . . 1.0 109.94 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 32.6 m120 -60.42 -29.69 69.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.707 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 38.3 t80 -57.48 -49.35 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.459 1.1 . . . . 1.0 109.895 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.0 t -65.91 -45.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.756 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.51 -26.48 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.018 0.437 . . . . 1.0 110.164 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASN . 21.4 t-20 -87.76 -69.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.644 -0.253 . . . . 1.0 110.951 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 97.2 t -52.88 -48.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 124.349 1.031 . . . . 1.0 110.556 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 66' ' ' VAL . 48.5 mt -105.82 121.76 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.498 0.666 . . . . 1.0 109.587 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' GLU . 82.9 tt0 -59.49 -28.74 67.3 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.528 -0.732 . . . . 1.0 110.639 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' H ' HG22 ' A' ' 70' ' ' ILE . 61.4 m-20 -50.13 87.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.752 -0.592 . . . . 1.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.9 pp20? -101.0 -3.29 29.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.234 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 59.3 t80 -85.05 45.17 1.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.199 0.523 . . . . 1.0 110.656 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -105.75 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.492 1.139 . . . . 1.0 110.162 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 63.9 mttp -62.54 -35.57 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.643 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -69.59 -47.53 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.6 -51.56 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.677 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.418 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 15.7 m95 -59.18 -42.7 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 1.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.44 89.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.19 -0.319 . . . . 1.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.13 97.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.06 -40.42 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.513 . . . . 1.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.15 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.687 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -56.2 -42.22 76.81 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.397 0.436 . . . . 1.0 109.982 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.86 94.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 1.0 110.595 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 88' ' ' TYR . 80.8 mt -67.24 -21.14 65.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 64.2 ttt-85 -73.67 25.93 0.07 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.407 -0.517 . . . . 1.0 110.534 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.513 ' H ' ' C ' ' A' ' 86' ' ' LEU . 91.1 m-85 -158.51 27.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.461 0.476 . . . . 1.0 110.723 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.62 138.12 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.104 0.478 . . . . 1.0 110.271 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.72 154.86 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.113 0.482 . . . . 1.0 110.311 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.68 172.71 31.51 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 93' ' ' GLU . 56.8 mtpt -72.95 145.59 46.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 1.0 110.428 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 92' ' ' LYS . 81.2 tt0 57.99 152.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.16 92.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.87 -47.6 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.68 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -75.0 -42.41 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.43 . . . . 1.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.41 -47.53 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.108 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.61 73.08 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.355 -0.538 . . . . 1.0 111.105 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -58.63 -46.67 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.989 0.805 . . . . 1.0 110.117 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -68.03 -44.62 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.2 -37.29 79.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.611 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.6 97.49 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.235 -0.291 . . . . 1.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -93.14 -14.12 27.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ALA . 35.3 tp -103.77 114.47 28.76 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.483 0.659 . . . . 1.0 109.991 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 74' ' ' TYR . 97.8 mt-10 -145.9 -13.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.41 170.05 17.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.4 . . . . 1.0 110.201 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -76.85 144.84 38.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 1.0 110.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -67.39 -39.65 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.762 0.315 . . . . 1.0 110.539 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -71.02 118.11 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.452 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -67.64 -40.68 84.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.656 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.125 -0.695 . . . . 1.0 109.125 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.4 -28.85 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 1.0 110.374 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -136.51 106.07 6.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.322 0.582 . . . . 1.0 109.91 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.621 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 37.6 t-20 -88.48 -32.86 0.4 Allowed Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 115.71 -0.677 . . . . 1.0 112.352 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 5' ' ' ASN . 54.8 Cg_endo -83.59 53.61 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 121.834 1.689 . . . . 1.0 112.187 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.63 -44.58 56.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.222 -0.924 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.48 -33.86 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 1.0 110.795 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 9' ' ' TYR . 4.4 m-30 -52.19 -22.48 4.37 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.237 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.1 p90 -50.47 -20.74 1.22 Allowed 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.599 -0.688 . . . . 1.0 110.172 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -43.48 -24.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.443 -0.785 . . . . 1.0 110.864 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -56.02 -52.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.783 1.302 . . . . 1.0 110.94 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -32.46 -35.09 0.02 OUTLIER Glycine 0 N--CA 1.475 1.246 0 O-C-N 124.752 1.283 . . . . 1.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.7 t -75.19 -51.05 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.6 -0.353 . . . . 1.0 110.747 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLU . 90.8 mt -43.61 -67.74 0.25 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 122.358 -0.214 . . . . 1.0 110.53 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.64 -56.71 6.63 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.081 -0.341 . . . . 1.0 110.081 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.1 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.681 -0.637 . . . . 1.0 110.738 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -75.49 -78.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.505 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.81 103.53 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.35 0.595 . . . . 1.0 110.47 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.44 73.91 0.15 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -138.45 61.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.608 -0.348 . . . . 1.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -43.3 -35.26 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.39 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 26' ' ' ILE . 97.3 m -60.48 -49.51 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.079 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -55.93 -43.96 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 p -52.74 -24.83 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 1.0 110.714 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 23' ' ' THR . 8.2 tt -58.44 -41.69 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.505 0.669 . . . . 1.0 110.647 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 94.1 m-20 -57.85 -43.28 85.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.917 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -68.47 -44.9 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.097 0.873 . . . . 1.0 110.673 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -59.38 -47.96 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.706 -0.798 . . . . 1.0 110.466 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.98 -39.17 71.44 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.443 -0.503 . . . . 1.0 110.647 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -58.61 -43.7 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.29 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.221 -0.591 . . . . 1.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -60.46 -44.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.065 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -54.78 -46.59 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.115 -0.366 . . . . 1.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.38 -42.64 78.83 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.755 0.66 . . . . 1.0 110.599 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -140.66 93.3 8.64 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.796 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -87.61 54.72 2.67 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.378 1.385 . . . . 1.0 112.119 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -153.99 35.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 1.0 110.15 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -125.72 112.7 16.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.232 0.539 . . . . 1.0 110.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -68.49 -45.79 71.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.063 0.459 . . . . 1.0 110.989 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -50.3 -37.13 34.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 1.0 110.012 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.07 -35.67 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 1.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -75.52 -34.57 60.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 78' ' ' VAL . 8.8 tt -58.7 -39.72 81.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.364 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.454 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -66.19 -39.95 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.927 -0.709 . . . . 1.0 110.89 -179.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.28 -46.45 79.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.9 1.375 . . . . 1.0 110.653 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.24 -47.69 73.18 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.159 -0.777 . . . . 1.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE2' HD21 ' A' ' 44' ' ' LEU . 64.4 mttm -61.18 -33.55 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.946 -0.301 . . . . 1.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.67 -50.01 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.799 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 62' ' ' CYS . 46.3 mt -64.44 -40.28 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.72 -51.16 70.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.335 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -62.36 -24.76 67.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.238 -0.289 . . . . 1.0 110.617 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.55 14.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.64 0.588 . . . . 1.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 72.8 7.48 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.372 0.669 . . . . 1.0 110.288 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -93.36 65.26 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 1.0 110.082 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 60' ' ' VAL . 32.3 m-85 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.069 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 9.6 pt-20 -67.55 -51.35 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 41.4 tt0 -59.95 -43.69 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.414 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.73 95.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.429 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 56' ' ' TYR . 24.9 t -58.19 -42.19 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.95 -35.08 75.82 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.792 -0.568 . . . . 1.0 110.348 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 50' ' ' LEU . 85.0 m -69.93 -52.63 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.429 0.456 . . . . 1.0 110.529 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.37 -41.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.043 -0.663 . . . . 1.0 110.751 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' ASN . 42.2 t30 -62.1 -33.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.593 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.82 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 54.1 t80 -56.58 -43.75 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.455 1.097 . . . . 1.0 110.07 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.33 -44.1 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.96 -25.42 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.141 0.496 . . . . 1.0 109.873 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ASN . 27.5 t-20 -87.76 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.53 -0.305 . . . . 1.0 111.079 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.82 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 90.2 t -51.07 -45.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 124.399 1.062 . . . . 1.0 110.396 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 72' ' ' ASP . 28.1 mt -107.3 120.73 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 1.0 109.747 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 73' ' ' GLU . 80.6 mm-40 -74.82 18.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.471 -0.768 . . . . 1.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t0 -71.46 41.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.763 -0.586 . . . . 1.0 110.403 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 71' ' ' GLU . 76.9 tt0 -61.28 72.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.165 0.507 . . . . 1.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 74' ' ' TYR . 69.7 t80 -168.04 34.01 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -108.3 108.52 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.951 0.881 . . . . 1.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.54 -36.59 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.87 -0.519 . . . . 1.0 110.79 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 44' ' ' LEU . 65.0 t0 -62.75 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 44' ' ' LEU . 75.1 t -64.92 -46.77 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.464 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 36.0 m0 -60.67 -45.11 95.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 1.0 110.229 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.51 98.76 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.271 -0.268 . . . . 1.0 110.866 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.798 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -61.29 -42.09 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.413 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.65 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.389 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.08 -41.6 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.112 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.46 93.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.409 . . . . 1.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 88' ' ' TYR . 96.0 mt -65.69 -41.14 92.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -55.91 -5.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' H ' ' C ' ' A' ' 86' ' ' LEU . 84.3 m-85 -143.16 55.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.159 0.504 . . . . 1.0 110.749 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.6 tt -129.07 139.86 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.14 0.495 . . . . 1.0 110.62 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -59.07 142.6 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 1.0 110.752 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.12 61.63 3.39 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.66 101.79 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.304 0.574 . . . . 1.0 110.046 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -112.73 72.35 0.77 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.201 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t 54.83 7.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.531 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 93' ' ' GLU . 76.3 mt-10 -66.53 -48.02 71.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.928 0.394 . . . . 1.0 110.387 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.92 77.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.28 -47.26 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.88 -43.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.133 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.8 75.39 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.965 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.23 -47.67 82.81 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.965 0.791 . . . . 1.0 110.727 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.32 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.762 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -64.42 -41.34 96.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.452 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.89 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 1.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -66.79 -43.63 83.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.643 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.32 99.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.261 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -71.98 -39.62 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 108' ' ' HIS . 58.5 t-80 -165.3 164.91 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 1.0 109.922 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 107' ' ' HIS . 39.9 p-80 -150.93 121.47 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.045 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -67.69 -40.86 84.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 1.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 110' ' ' HIS . 53.6 t-80 -157.44 47.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 80.8 m80 50.15 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.505 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 tpp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.108 -0.701 . . . . 1.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.21 -37.88 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.623 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.149 0.5 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -125.28 11.57 8.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.086 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 57.39 99.07 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.751 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.15 30.94 0.44 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 121.647 1.564 . . . . 1.0 112.215 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.17 -16.17 63.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.13 -0.981 . . . . 1.0 110.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -72.83 -32.74 65.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.345 0.403 . . . . 1.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.899 0.38 . . . . 1.0 110.462 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -49.52 -16.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 1.0 110.446 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -41.63 -22.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.503 -0.748 . . . . 1.0 110.776 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.4 pt-20 -58.7 -48.92 79.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 124.812 1.32 . . . . 1.0 110.616 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -38.18 -40.52 0.88 Allowed Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.783 1.302 . . . . 1.0 110.908 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.75 -58.36 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.974 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.0 mt -43.54 -64.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.283 -0.266 . . . . 1.0 110.283 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' ALA . 65.0 tp60 -49.49 -54.92 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.206 -0.294 . . . . 1.0 110.206 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.58 -61.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.624 -0.672 . . . . 1.0 110.757 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -66.47 -67.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 1.0 110.444 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -103.0 -128.27 0.23 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.99 -92.6 0.75 Allowed Glycine 0 N--CA 1.471 0.999 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 57.04 37.4 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.599 -0.354 . . . . 1.0 110.352 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.799 ' CD2' HD21 ' A' ' 53' ' ' LEU . 10.5 p90 -64.62 -54.03 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.645 0.591 . . . . 1.0 110.413 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 26' ' ' ILE . 99.5 m -64.53 -42.87 95.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.626 0.579 . . . . 1.0 110.268 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.05 -44.75 94.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.893 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 71.4 p -53.23 -28.11 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.297 0.57 . . . . 1.0 110.785 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 23' ' ' THR . 7.3 tt -52.33 -35.22 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 1.0 110.492 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 27.1 t70 -65.85 -49.64 67.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.51 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.4 mm? -60.42 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.123 -0.944 . . . . 1.0 110.633 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.55 -47.43 83.88 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.563 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 29' ' ' PHE . 80.6 tt0 -51.85 -38.65 56.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.676 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 27' ' ' ASP . 59.5 mttp -66.67 -40.14 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.816 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.65 70.99 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 8.1 mt -63.1 -36.18 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.232 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.76 -41.67 87.09 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.103 -0.373 . . . . 1.0 110.515 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.0 -40.2 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.492 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -146.25 99.88 4.2 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.896 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.63 83.92 1.33 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.211 1.274 . . . . 1.0 111.529 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -175.06 -9.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.505 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -71.14 97.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.206 0.527 . . . . 1.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -63.76 -46.28 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.935 0.398 . . . . 1.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -49.42 -30.58 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 1.0 110.178 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.04 -36.73 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.416 -0.802 . . . . 1.0 110.604 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -67.14 -30.95 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.376 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.62 -41.83 67.1 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.564 -0.743 . . . . 1.0 110.715 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.6 mmm -63.55 -40.79 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.892 -0.723 . . . . 1.0 110.352 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -50.92 -58.86 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.893 1.371 . . . . 1.0 110.921 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.98 59.85 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -56.25 -39.33 72.42 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.568 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.43 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 1.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.41 -41.52 97.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.27 -49.52 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.491 . . . . 1.0 110.496 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.47 -30.57 71.35 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 ' CD2' ' A' ' 22' ' ' TYR . 25.5 mt -74.09 1.78 10.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 123.693 0.621 . . . . 1.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 80.19 22.81 0.44 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.669 0.388 . . . . 1.0 110.852 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -109.59 70.81 0.74 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.269 0.556 . . . . 1.0 109.727 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.65 -40.39 79.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.861 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.69 -51.29 67.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.729 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -65.98 -38.37 88.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.406 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.97 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.773 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.79 -43.22 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -63.76 -38.57 91.61 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.801 -0.562 . . . . 1.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 t -71.08 -52.1 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.395 0.435 . . . . 1.0 110.367 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -50.4 -41.65 52.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.215 -0.594 . . . . 1.0 110.178 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.3 t30 -59.04 -24.09 62.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.629 -0.428 . . . . 1.0 110.223 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.738 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 50.3 t80 -59.48 -45.43 91.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.409 1.068 . . . . 1.0 109.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.1 t -67.18 -46.49 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 123.32 0.388 . . . . 1.0 110.683 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.545 HD12 ' N ' ' A' ' 67' ' ' ILE . 1.6 mp -67.29 -38.62 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.165 0.507 . . . . 1.0 110.204 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -75.21 -71.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.96 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 74.5 t -49.08 -46.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.331 1.019 . . . . 1.0 110.627 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 66' ' ' VAL . 57.5 mt -113.1 130.46 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.795 0.807 . . . . 1.0 109.747 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 73' ' ' GLU . 26.2 tp10 -78.24 24.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.434 -0.791 . . . . 1.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 74' ' ' TYR . 32.8 p-10 -74.94 23.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.657 -0.652 . . . . 1.0 110.512 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 71' ' ' GLU . 83.7 tt0 -56.14 79.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 87.1 t80 -168.08 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -43.6 112.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.975 0.893 . . . . 1.0 110.494 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -61.44 -36.8 81.4 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.832 -0.542 . . . . 1.0 110.417 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.78 -46.94 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.778 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.49 -49.47 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.371 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.46 -47.8 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 1.0 110.196 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.72 90.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.198 -0.314 . . . . 1.0 110.671 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.87 88.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.69 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.473 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -50.35 -41.7 51.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.226 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.49 95.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 1.0 110.544 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 89' ' ' ILE . 88.7 mt -71.87 -19.52 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.89 -11.04 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.25 47.81 2.38 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.605 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 86' ' ' LEU . 15.0 tt -129.65 140.87 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.121 0.486 . . . . 1.0 110.412 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -59.93 122.03 13.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.445 0.64 . . . . 1.0 110.477 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.38 -174.29 38.32 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -85.65 26.55 0.94 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.808 0.337 . . . . 1.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 55.54 40.78 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 1.0 110.756 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -127.98 -34.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.159 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.97 -51.75 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 1.0 110.638 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.69 -52.03 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.212 -0.595 . . . . 1.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.8 -43.09 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.17 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.72 -55.09 37.4 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.862 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.68 -39.09 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.04 0.837 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -48.29 53.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 1.0 110.736 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.13 -39.69 90.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.657 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.79 78.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 1.0 111.158 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.08 -46.72 41.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.681 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.6 tt -65.65 94.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.036 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -137.88 -50.14 0.59 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.466 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -163.39 -173.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 1.0 110.165 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -72.28 135.22 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 1.0 110.115 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -156.23 -55.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -75.87 127.48 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -74.59 135.94 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.555 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.434 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.29 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.508 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.62 100.16 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.067 0.46 . . . . 1.0 110.516 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -66.42 -39.77 89.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.982 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -151.03 155.02 34.83 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.571 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 8' ' ' GLU . 31.7 Cg_exo -56.33 -80.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.109 1.873 . . . . 1.0 112.299 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 68.27 -48.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.145 -0.972 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' PRO . 80.6 mm-40 -77.05 -36.74 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.27 0.557 . . . . 1.0 110.904 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -53.78 -13.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.26 -10.21 1.89 Allowed 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.63 -0.669 . . . . 1.0 110.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -46.84 -26.67 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.472 -0.767 . . . . 1.0 110.765 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' VAL . 15.4 tm-20 -52.51 -51.49 59.23 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 124.75 1.281 . . . . 1.0 110.827 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -34.62 -32.58 0.02 OUTLIER Glycine 0 N--CA 1.472 1.099 0 O-C-N 124.784 1.303 . . . . 1.0 111.19 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLU . 40.9 t -80.96 -51.81 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 O-C-N 122.467 -0.431 . . . . 1.0 110.618 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.9 mt -44.43 -67.72 0.26 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 22' ' ' TYR . 26.7 tp60 -47.06 -53.15 13.31 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.282 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.65 -61.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.64 -0.663 . . . . 1.0 110.728 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -76.38 -75.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.633 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.89 112.81 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.638 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.23 59.64 4.55 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.7 p30 -121.1 59.07 0.95 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.514 -0.404 . . . . 1.0 110.399 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 90.7 m-85 -39.02 -38.73 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.343 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -55.03 -49.73 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.621 0.575 . . . . 1.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.65 -45.09 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.937 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -50.45 -36.87 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 1.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.85 -44.18 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 O-C-N 122.015 -0.428 . . . . 1.0 110.213 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.039 -0.664 . . . . 1.0 110.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.4 tm? -69.56 -43.23 73.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.063 0.852 . . . . 1.0 110.92 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.96 -45.31 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.777 -0.769 . . . . 1.0 110.398 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.97 -35.38 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.502 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.25 -47.1 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.72 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.63 -52.14 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.879 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.14 -42.36 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.164 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -51.95 -35.74 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.116 -0.365 . . . . 1.0 110.439 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.43 -40.08 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.611 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -165.43 114.46 0.83 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.94 -0.552 . . . . 1.0 110.733 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' H ' ' A' ' 39' ' ' GLU . 66.1 Cg_endo -82.78 -10.33 10.64 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 121.122 1.215 . . . . 1.0 112.078 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -70.46 37.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.42 . . . . 1.0 110.679 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.7 mt-10 -130.27 99.43 5.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.22 0.533 . . . . 1.0 110.21 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -66.88 -45.32 78.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 1.0 110.891 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' O ' ' SD ' ' A' ' 45' ' ' MET . 25.8 mtmm -48.88 -32.35 8.74 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -77.48 -33.17 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.407 -0.808 . . . . 1.0 110.479 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -78.15 -39.29 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.441 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -67.9 -38.89 83.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.843 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -57.36 -46.28 83.5 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.903 1.377 . . . . 1.0 110.494 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.1 -43.81 56.48 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.43 -34.17 74.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 1.0 110.478 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.24 61.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.919 0.39 . . . . 1.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.53 -43.03 95.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.664 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -57.52 -50.16 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.342 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.81 -24.3 66.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 121.005 -0.278 . . . . 1.0 110.603 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 50.5 mt -81.26 15.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.632 0.583 . . . . 1.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 84.7 mt-10 71.32 7.09 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.558 0.743 . . . . 1.0 110.383 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -91.92 60.07 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 1.0 110.095 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.54 -37.83 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.419 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.83 -51.28 50.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.28 -42.75 99.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.441 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.9 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.75 -36.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.946 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -60.04 -36.66 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.775 -0.578 . . . . 1.0 110.484 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.2 m -69.14 -50.49 47.43 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.386 0.429 . . . . 1.0 110.638 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -59.3 -43.26 92.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.03 -36.47 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.786 -0.365 . . . . 1.0 110.595 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.866 ' O ' HG22 ' A' ' 69' ' ' VAL . 60.2 t80 -59.22 -44.27 92.29 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.448 1.092 . . . . 1.0 109.94 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 98.5 t -63.65 -34.01 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 O-C-N 123.276 0.36 . . . . 1.0 110.467 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.5 mt -81.43 -22.05 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 1.0 110.184 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -80.71 -79.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.305 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 65' ' ' TYR . 4.8 m -46.64 -40.42 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 124.305 1.003 . . . . 1.0 110.46 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG13 HG23 ' A' ' 69' ' ' VAL . 52.5 mt -107.59 115.65 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 122.065 0.936 . . . . 1.0 109.461 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -70.02 27.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.466 -0.771 . . . . 1.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 70' ' ' ILE . 21.7 t0 -46.75 -56.96 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.783 -0.573 . . . . 1.0 110.414 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASP . 96.4 mt-10 32.18 42.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.369 0.604 . . . . 1.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -152.22 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.799 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -52.19 110.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.279 1.038 . . . . 1.0 110.262 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -65.0 -37.99 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.555 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.61 -40.89 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.549 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.57 -46.58 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.483 ' CZ3' ' NH2' ' A' ' 102' ' ' ARG . 71.2 m95 -64.97 -47.07 78.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 1.0 110.338 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.227 -0.296 . . . . 1.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.82 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -61.54 -36.12 79.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.216 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.83 -47.87 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.575 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.9 -42.34 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.3 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.9 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 1.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.469 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -66.84 -20.09 65.86 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -130.04 58.15 1.67 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.744 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' GLY . 17.9 tt -127.37 136.02 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.087 0.47 . . . . 1.0 110.416 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 56.02 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 1.0 110.508 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -179.56 127.38 1.12 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm 45.89 -103.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.703 -0.293 . . . . 1.0 110.496 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 22.8 tp10 66.9 139.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.538 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -84.27 -3.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.265 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 91.7 mt-10 -58.38 -48.34 80.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.848 0.356 . . . . 1.0 110.619 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.26 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.881 -0.328 . . . . 1.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -67.61 -46.62 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.101 0.477 . . . . 1.0 110.575 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 98' ' ' ILE . 1.8 mp -61.08 -44.68 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.144 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.46 72.03 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.738 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -58.89 -46.37 87.99 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.0 0.812 . . . . 1.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.06 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 1.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' NH2' ' CZ3' ' A' ' 79' ' ' TRP . 57.6 ttp180 -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 1.0 110.58 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.78 79.11 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.187 -0.321 . . . . 1.0 111.029 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -67.55 -44.05 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 1.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 tp 50.37 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.181 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -64.64 146.32 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.63 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -58.79 154.44 14.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.209 0.528 . . . . 1.0 110.296 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.408 ' ND1' ' N ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -156.4 -171.22 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.087 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.4 m80 54.06 -113.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 1.0 110.551 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 41.9 p-80 -91.46 115.28 27.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 1.0 110.452 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -86.09 158.7 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.483 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.558 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 N--CA 1.482 0.84 0 CA-C-O 120.822 0.259 . . . . 1.0 112.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -75.24 -46.57 32.93 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.167 -0.958 . . . . 1.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 40.2 mp0 -74.0 -33.7 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 1.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 11' ' ' LEU . 27.6 m-85 -53.65 -22.4 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.442 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLU . 1.3 p90 -48.94 -14.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.549 0.69 . . . . 1.0 110.464 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' C ' ' A' ' 9' ' ' TYR . 2.1 pp -48.03 -20.27 0.33 Allowed 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 121.447 -0.783 . . . . 1.0 110.51 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' VAL . 13.6 tm-20 -57.55 -54.31 48.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.827 1.329 . . . . 1.0 110.8 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -33.91 -32.59 0.02 OUTLIER Glycine 0 N--CA 1.475 1.245 0 O-C-N 124.735 1.272 . . . . 1.0 111.151 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . 39.1 t -76.65 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 122.458 -0.436 . . . . 1.0 110.582 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 19' ' ' ALA . 86.2 mt -43.94 -65.66 0.48 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 119.649 -0.215 . . . . 1.0 110.432 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.09 -56.08 6.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.571 -0.706 . . . . 1.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.77 -71.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 1.0 110.502 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -68.58 110.02 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 1.0 110.343 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 65.03 2.74 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' GLU . 40.7 t-20 -140.77 63.34 1.46 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.277 0.56 . . . . 1.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.4 -34.23 0.5 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.097 -0.956 . . . . 1.0 110.176 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 26' ' ' ILE . 14.4 m -62.41 -45.77 91.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.581 0.551 . . . . 1.0 110.049 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ASN . 83.9 tt0 -56.41 -45.78 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.179 -0.326 . . . . 1.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.6 p -50.3 -23.02 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.532 . . . . 1.0 110.56 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 23' ' ' THR . 8.7 tt -60.78 -41.93 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.251 0.548 . . . . 1.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.424 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 63.0 m-20 -58.54 -47.66 83.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.116 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.3 mm? -68.6 -43.07 77.25 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.092 0.87 . . . . 1.0 110.823 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 65.6 t80 -59.75 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.407 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -53.64 -38.51 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.608 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.55 -45.6 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.91 63.0 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.733 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 51.8 mt -64.5 -41.03 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 123.691 0.619 . . . . 1.0 110.557 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -53.96 -33.19 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.061 -0.399 . . . . 1.0 110.537 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.72 -49.26 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -172.35 112.83 0.38 Allowed Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.854 -0.593 . . . . 1.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.46 124.06 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 121.13 1.22 . . . . 1.0 111.672 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? 176.31 -8.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -96.67 108.42 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.201 0.524 . . . . 1.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -67.2 -46.65 73.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.521 . . . . 1.0 111.133 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -47.73 -27.99 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.281 0.562 . . . . 1.0 110.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.06 -33.73 57.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.321 -0.862 . . . . 1.0 110.22 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -73.18 -35.36 66.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.024 -0.361 . . . . 1.0 110.024 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -57.66 -39.25 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.462 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.961 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -58.23 -44.49 88.24 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.884 1.365 . . . . 1.0 110.645 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.54 -49.43 60.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -58.77 -34.55 71.56 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.398 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.19 54.02 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.46 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.716 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.28 -50.72 72.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.389 -0.524 . . . . 1.0 110.233 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.97 -27.91 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.268 -0.27 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -77.09 11.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' ' HE ' ' A' ' 55' ' ' ARG . 4.1 tp10 76.07 10.62 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.976 0.511 . . . . 1.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HE ' ' C ' ' A' ' 54' ' ' GLU . 5.0 mmp_? -97.72 68.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.4 m-85 -60.87 -41.21 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.951 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.69 -50.4 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.729 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.601 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.92 75.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.501 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 56' ' ' TYR . 39.9 t -60.01 -38.35 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.9 -34.55 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.786 -0.571 . . . . 1.0 110.467 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.3 m -71.77 -45.27 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 1.0 110.716 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 1.8 t80 -57.87 -46.91 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ASN . 25.4 t-20 -66.75 -34.6 78.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.342 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 58.2 t80 -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.367 1.042 . . . . 1.0 110.425 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.6 -30.67 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.629 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 11.2 mt -89.39 -24.16 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 110.18 -0.304 . . . . 1.0 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.4 t-20 -80.63 -65.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.364 -0.21 . . . . 1.0 110.847 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 96.1 t -60.09 -46.43 94.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.319 1.012 . . . . 1.0 110.425 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' ASP . 58.3 mt -107.74 130.32 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 121.907 0.86 . . . . 1.0 109.671 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 57.5 mp0 -77.0 23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.532 -0.73 . . . . 1.0 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.9 t0 -76.87 46.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.767 -0.583 . . . . 1.0 110.216 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -77.49 77.82 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.229 0.537 . . . . 1.0 110.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' ' NZ ' ' A' ' 76' ' ' LYS . 73.6 t80 -168.11 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.36 107.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.132 0.968 . . . . 1.0 110.344 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 60.8 mttp -59.99 -42.97 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.843 -0.536 . . . . 1.0 110.629 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -59.41 -40.5 86.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 -50.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.523 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CH2' ' OH ' ' A' ' 63' ' ' TYR . 59.9 m95 -57.56 -43.32 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 1.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.38 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.268 -0.27 . . . . 1.0 110.75 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.73 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 63' ' ' TYR . 33.3 tttp -57.86 -45.15 86.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.162 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.82 53.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.514 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -56.91 -35.18 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.138 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.32 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 110.74 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 88' ' ' TYR . 10.0 mp -66.09 -35.56 80.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -52.32 -9.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.218 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 86' ' ' LEU . 97.8 m-85 -144.52 62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.099 0.476 . . . . 1.0 110.47 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -129.73 141.23 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.452 0.644 . . . . 1.0 110.345 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 58.0 mp0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.44 0.638 . . . . 1.0 110.573 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.5 -0.185 . . . . 1.0 110.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.45 -49.88 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 1.0 110.523 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.84 -34.87 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.46 -47.41 73.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 1.0 110.609 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.1 mt -58.68 -41.0 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.22 70.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.27 -44.92 76.09 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.989 0.805 . . . . 1.0 110.624 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.26 79.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 1.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -62.67 -41.42 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.192 0.52 . . . . 1.0 110.734 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.16 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -87.1 18.12 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.674 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.1 tp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.763 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 53.9 Cg_exo . . . . . 0 N--CA 1.496 1.673 0 CA-C-O 121.799 0.666 . . . . 1.0 111.972 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 55.1 tt0 92.6 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.213 -0.929 . . . . 1.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 6' ' ' PRO . 31.6 mp0 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 1.0 110.652 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -57.59 -17.86 16.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 1.0 110.277 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' GLU . 2.2 p90 -50.3 -15.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.432 0.634 . . . . 1.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.84 -20.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.486 -0.759 . . . . 1.0 110.531 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 14.0 tm-20 -60.86 -53.9 51.69 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.8 1.313 . . . . 1.0 111.112 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.5 -31.57 0.03 OUTLIER Glycine 0 N--CA 1.47 0.924 0 O-C-N 124.721 1.263 . . . . 1.0 110.823 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLU . 28.8 t -74.67 -54.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.489 -0.418 . . . . 1.0 110.755 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -42.31 -67.5 0.26 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 122.401 -0.187 . . . . 1.0 110.509 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 12' ' ' GLU . 2.8 pt20 -49.82 -52.34 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' H ' ' HG3' ' A' ' 16' ' ' GLN . 2.9 m-85 -53.51 -65.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.634 -0.666 . . . . 1.0 110.872 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.55 -70.69 0.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.032 -0.358 . . . . 1.0 110.032 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' GLN . . . -103.41 -120.99 0.19 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.447 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.82 -93.33 0.39 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 54.47 38.49 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.624 -0.339 . . . . 1.0 110.221 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -64.86 -53.95 38.61 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.624 0.578 . . . . 1.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -66.52 -44.1 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 83.2 tt0 -63.46 -43.64 96.79 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.179 -0.325 . . . . 1.0 110.763 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -53.07 -24.93 11.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 1.0 110.569 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -45.85 -28.72 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 121.983 -0.448 . . . . 1.0 110.188 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' OD1' ' O ' ' A' ' 24' ' ' GLU . 34.5 p-10 -68.28 -48.44 64.98 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.68 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 4.4 mm? -54.54 -54.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.891 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.87 -45.43 92.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.335 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -53.55 -37.96 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.65 -44.42 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.8 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.908 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.69 -32.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.386 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.49 -32.68 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.081 -0.387 . . . . 1.0 110.593 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.91 -38.57 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.881 0.738 . . . . 1.0 110.52 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -163.05 96.85 1.07 Allowed Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -82.05 55.78 5.57 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 121.11 1.206 . . . . 1.0 112.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -130.88 -14.44 3.52 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.676 0.39 . . . . 1.0 110.311 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.96 93.25 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 1.0 110.474 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -53.48 -38.42 63.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.715 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.65 -33.39 22.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 1.0 110.208 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -78.12 -38.58 43.58 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.51 -0.743 . . . . 1.0 110.415 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.86 -36.44 70.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.224 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.43 -40.55 74.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.328 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -62.83 -41.44 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 1.0 110.712 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -52.46 -48.7 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 124.939 1.399 . . . . 1.0 110.842 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.51 -48.65 48.48 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.044 -0.823 . . . . 1.0 111.044 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -37.7 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.506 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.29 -51.23 66.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.306 -0.557 . . . . 1.0 110.687 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.89 -42.15 97.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.33 -49.61 74.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.58 -29.82 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.037 -0.265 . . . . 1.0 110.67 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 49' ' ' ALA . 7.4 mp -80.48 9.6 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.642 0.588 . . . . 1.0 110.618 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 58.2 mm-40 73.68 25.45 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.439 . . . . 1.0 110.529 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -108.16 65.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 1.0 110.21 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.55 -38.26 83.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.215 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.43 -52.38 58.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.98 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.2 mp0 -68.41 -38.54 81.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.07 -39.16 63.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.439 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.59 -33.41 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.021 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.27 -38.26 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.874 -0.516 . . . . 1.0 110.602 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -65.84 -51.17 61.11 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.478 0.486 . . . . 1.0 110.537 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.27 -44.83 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -40.47 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.517 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 28.6 t80 -60.39 -45.77 92.36 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.443 1.089 . . . . 1.0 110.176 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.05 -44.29 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.455 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -68.6 -38.54 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 1.0 110.187 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -74.79 -69.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.17 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.763 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 88.1 t -48.97 -47.04 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 124.361 1.038 . . . . 1.0 110.659 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 72' ' ' ASP . 35.3 mt -105.24 117.04 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.778 0.799 . . . . 1.0 109.656 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.13 26.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.497 -0.752 . . . . 1.0 110.529 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' ILE . 5.9 t70 -52.4 -53.29 47.04 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.691 -0.631 . . . . 1.0 110.539 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' ASP . 68.3 tt0 30.45 49.51 0.07 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.327 0.584 . . . . 1.0 111.025 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 66.0 t80 -164.44 22.95 0.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.358 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -101.48 106.25 17.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 122.312 1.053 . . . . 1.0 109.776 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.74 -37.1 82.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.69 -46.0 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.538 ' CD2' ' NH1' ' A' ' 102' ' ' ARG . 41.2 m0 -59.82 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.23 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.15 87.56 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.201 -0.312 . . . . 1.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.05 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.463 0.477 . . . . 1.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.07 -43.44 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.55 52.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -50.58 -37.11 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.181 0.515 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 86' ' ' LEU . 10.8 mp -72.89 -28.41 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -67.41 -13.62 62.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.945 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.19 60.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -128.81 144.6 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.294 0.568 . . . . 1.0 110.448 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.165 0.507 . . . . 1.0 110.471 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.325 -0.25 . . . . 1.0 110.325 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.93 -51.69 55.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.403 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -25.39 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.703 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -67.09 -49.76 63.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.779 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.7 mp -58.39 -44.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.089 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.82 65.6 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.87 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.016 0.822 . . . . 1.0 110.457 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.86 -46.36 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.824 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 79' ' ' TRP . 71.3 ttp85 -59.73 -41.35 90.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.832 0.349 . . . . 1.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.76 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.131 -0.355 . . . . 1.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.97 -47.79 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.016 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.33 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo . . . . . 0 N--CA 1.494 1.545 0 CA-C-O 121.161 0.4 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -65.3 -20.89 66.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.227 -0.921 . . . . 1.0 110.346 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.75 -34.43 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.349 0.406 . . . . 1.0 110.754 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -57.62 -14.92 6.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.647 0.26 . . . . 1.0 110.386 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.6 p90 -54.54 -16.69 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 1.0 110.245 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.0 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.347 -0.845 . . . . 1.0 111.112 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' TYR . 25.5 tp10 -53.9 -50.79 65.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.224 -1.353 . . . . 1.0 110.736 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -35.51 -41.7 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 O-C-N 124.704 1.253 . . . . 1.0 111.0 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.84 -55.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 122.559 -0.377 . . . . 1.0 110.527 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' ALA . 51.9 mt -42.87 -68.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -44.09 -53.91 5.99 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -50.97 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.679 -0.638 . . . . 1.0 111.239 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.67 -73.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.985 0.421 . . . . 1.0 110.645 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -74.29 102.95 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.02 58.43 0.79 Allowed Glycine 0 N--CA 1.459 0.175 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -113.0 60.95 0.64 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.639 -0.33 . . . . 1.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -45.9 -40.47 10.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 17.3 m -56.58 -48.92 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.556 0.535 . . . . 1.0 110.216 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.15 -40.62 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.913 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 p -49.93 -33.43 17.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.509 -0.477 . . . . 1.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.6 mp -58.16 -40.81 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.04 -49.14 78.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.32 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.8 mm? -64.58 -46.17 83.89 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 124.104 0.878 . . . . 1.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.87 -45.64 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.297 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -51.76 -39.84 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.595 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.85 -43.79 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.86 -54.58 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.925 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.414 HG12 ' CD1' ' A' ' 42' ' ' TYR . 50.7 mt -54.65 -35.81 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.06 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.18 -33.37 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.043 -0.411 . . . . 1.0 110.364 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -43.24 92.71 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.794 0.684 . . . . 1.0 110.677 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.72 93.56 0.46 Allowed Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -87.67 103.42 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.273 1.316 . . . . 1.0 111.827 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -165.59 45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.14 -0.35 . . . . 1.0 110.195 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.562 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -157.6 99.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 1.0 110.412 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -48.52 -24.98 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 122.361 -0.212 . . . . 1.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -50.87 -42.42 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.024 0.44 . . . . 1.0 110.372 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 2.3 p90 -81.73 -37.52 27.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.315 -0.865 . . . . 1.0 110.033 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.065 -178.578 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 78' ' ' VAL . 5.4 tp -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtp -61.57 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.722 -0.791 . . . . 1.0 110.516 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -49.02 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.945 1.403 . . . . 1.0 111.049 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.73 49.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.171 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -51.04 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.751 -0.379 . . . . 1.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.08 -43.08 99.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.669 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -60.08 -50.11 75.0 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.471 -0.491 . . . . 1.0 110.445 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.52 -29.91 69.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.19 -0.319 . . . . 1.0 110.65 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 52.2 mt -76.25 3.73 10.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.556 0.535 . . . . 1.0 110.761 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 35.4 tt0 79.93 26.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.797 0.439 . . . . 1.0 110.256 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -111.64 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.41 . . . . 1.0 110.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -58.31 -40.44 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.238 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.5 -50.84 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.01 -40.78 91.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.543 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.92 -37.24 63.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.5 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.01 -31.12 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.05 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.77 -37.01 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.697 -0.627 . . . . 1.0 110.325 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.31 -51.71 54.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.499 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.07 -43.65 97.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.86 -41.18 90.9 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.447 -0.501 . . . . 1.0 110.621 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 40.7 t80 -59.18 -41.58 88.79 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.452 1.095 . . . . 1.0 110.084 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 70' ' ' ILE . 76.2 t -68.8 -45.64 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.649 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.75 -39.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.107 0.48 . . . . 1.0 109.994 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.48 -65.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.836 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 93.2 t -55.28 -46.23 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 124.344 1.028 . . . . 1.0 110.268 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 72' ' ' ASP . 45.6 mt -112.88 127.87 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 1.0 109.808 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.58 18.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.512 -0.743 . . . . 1.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 70' ' ' ILE . 86.3 m-20 -78.48 40.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.769 -0.582 . . . . 1.0 110.27 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' NE1' ' A' ' 79' ' ' TRP . 15.7 pt-20 -58.68 -24.46 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.715 -0.221 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -54.44 -29.59 49.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.222 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -46.51 106.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.065 0.936 . . . . 1.0 110.54 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.41 -33.65 76.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.76 -43.72 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.683 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 44' ' ' LEU . 76.8 t -65.06 -44.95 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.52 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 45.2 m95 -64.85 -49.88 68.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.38 83.39 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.225 -0.297 . . . . 1.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.65 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.786 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.63 -36.17 75.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.37 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.24 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.979 -0.288 . . . . 1.0 110.635 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.06 -41.22 59.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.31 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.21 85.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.03 0.443 . . . . 1.0 110.655 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.0 -32.12 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -38.58 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.966 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -112.01 75.18 0.9 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.193 0.521 . . . . 1.0 110.491 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CG1' ' N ' ' A' ' 90' ' ' GLU . 14.4 tt -129.22 168.49 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 123.19 0.596 . . . . 1.0 110.759 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' ' CG1' ' A' ' 89' ' ' ILE . 68.7 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 94' ' ' VAL . 45.6 t . . . . . 0 C--O 1.231 0.104 0 N-CA-C 110.2 -0.296 . . . . 1.0 110.2 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -58.43 -52.33 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.395 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.07 79.3 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.99 -0.284 . . . . 1.0 110.895 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.12 -51.99 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.441 -0.504 . . . . 1.0 110.786 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.88 -40.74 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.76 -53.77 51.5 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.019 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -54.82 -43.51 73.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 124.007 0.817 . . . . 1.0 110.545 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.21 -48.63 64.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.78 -40.76 80.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 1.0 110.664 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.92 83.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -89.4 12.76 15.4 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.615 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.407 HD23 ' C ' ' A' ' 105' ' ' LEU . 1.8 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.38 0.609 . . . . 1.0 109.783 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 N--CA 1.489 1.218 0 CA-C-O 121.26 0.442 . . . . 1.0 111.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.93 -45.39 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.166 -0.959 . . . . 1.0 109.989 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.796 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 15.1 pt-20 -54.94 -27.83 46.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.374 0.421 . . . . 1.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' LEU . 38.5 m-85 -48.48 -7.49 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 O-C-N 122.276 -0.265 . . . . 1.0 111.227 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -54.56 72.63 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.71 -0.619 . . . . 1.0 111.73 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 9' ' ' TYR . 3.5 pp -126.64 -37.89 2.12 Favored 'General case' 0 CA--C 1.482 -1.641 0 CA-C-O 122.871 1.32 . . . . 1.0 111.393 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLY . 58.2 mp0 -51.36 -48.61 62.44 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 112.222 -2.263 . . . . 1.0 109.937 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -30.71 -56.93 0.25 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.714 1.259 . . . . 1.0 111.197 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.8 -54.74 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.147 0.474 . . . . 1.0 110.595 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 19' ' ' ALA . 21.0 mt -43.44 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.442 -0.162 . . . . 1.0 110.814 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -43.38 -60.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.397 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -44.22 -62.57 1.11 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.588 -0.695 . . . . 1.0 110.823 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.08 -80.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.378 0.424 . . . . 1.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.588 ' O ' ' O ' ' A' ' 15' ' ' LEU . . . -104.48 131.72 51.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.428 0.632 . . . . 1.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ALA . . . -33.08 -71.12 0.11 Allowed Glycine 0 N--CA 1.473 1.114 0 O-C-N 121.843 -0.536 . . . . 1.0 112.129 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 49.94 32.68 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.571 -0.37 . . . . 1.0 110.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.26 -50.49 71.53 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.132 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' ILE . 19.0 m -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.508 -0.769 . . . . 1.0 110.278 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -55.94 -36.13 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.245 -0.284 . . . . 1.0 110.737 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -63.87 -24.37 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 1.0 110.504 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 23' ' ' THR . 1.8 tp -57.94 -35.52 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.606 0.717 . . . . 1.0 110.495 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -65.99 -34.97 79.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.05 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -73.1 -47.62 42.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.88 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.56 -43.08 97.67 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.364 -0.534 . . . . 1.0 110.197 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -55.39 -36.83 66.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.659 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -71.92 -41.03 68.37 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.986 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.7 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.319 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.0 mt -66.28 -28.81 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.453 0.644 . . . . 1.0 110.274 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.98 -33.76 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.119 -0.363 . . . . 1.0 110.473 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.61 -47.76 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.799 0.687 . . . . 1.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -175.13 113.16 0.28 Allowed Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 118.621 -0.704 . . . . 1.0 110.634 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 58.6 Cg_endo -83.38 -145.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.088 1.192 . . . . 1.0 111.898 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 43.0 tt0 78.43 32.31 0.33 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.16 0.505 . . . . 1.0 110.714 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 21.2 mt-10 -148.18 90.07 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -49.07 -28.38 4.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.638 0.733 . . . . 1.0 111.141 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.48 -39.56 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.968 -179.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 2.1 p90 -78.2 -32.59 50.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.935 0.874 . . . . 1.0 110.211 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.589 ' CD1' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.48 -41.04 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.085 -0.961 . . . . 1.0 109.932 -177.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.12 -43.37 74.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.281 -0.872 . . . . 1.0 109.762 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.14 -46.31 84.67 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.779 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -52.6 -49.77 64.38 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.882 1.364 . . . . 1.0 110.297 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.01 -48.0 53.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.38 -34.44 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.676 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.49 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.742 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD12 ' OE1' ' A' ' 58' ' ' GLU . 4.5 mm? -59.59 -38.91 82.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.14 -49.36 72.45 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 120.139 -0.625 . . . . 1.0 110.578 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.86 -30.5 67.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.781 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -79.67 11.65 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.551 0.532 . . . . 1.0 110.776 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 71.06 27.68 3.27 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.844 0.458 . . . . 1.0 110.546 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -111.56 64.49 0.62 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.441 0.639 . . . . 1.0 110.215 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -56.21 -38.67 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.119 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -51.05 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.993 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.552 ' OE1' HD12 ' A' ' 50' ' ' LEU . 83.9 mt-10 -65.34 -39.33 92.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.38 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.92 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 64' ' ' ASN . 24.6 t -59.57 -41.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.47 -35.49 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.77 -0.581 . . . . 1.0 110.585 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.32 -53.42 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.4 0.438 . . . . 1.0 110.384 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -57.54 -42.86 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.18 -0.608 . . . . 1.0 110.646 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.418 ' ND2' HG12 ' A' ' 60' ' ' VAL . 98.4 m-20 -60.03 -34.98 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.291 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 45.4 t80 -58.48 -42.72 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.33 1.019 . . . . 1.0 109.839 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.318 0.386 . . . . 1.0 110.729 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.59 -41.3 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -74.63 -70.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 95.4 t -47.81 -48.19 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 124.31 1.006 . . . . 1.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.604 ' C ' ' H ' ' A' ' 72' ' ' ASP . 76.7 mt -107.06 128.85 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.751 0.786 . . . . 1.0 109.727 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.36 25.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.451 -0.78 . . . . 1.0 110.989 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.2 t0 -46.33 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.776 -0.578 . . . . 1.0 110.564 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 38.49 39.29 0.3 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.991 0.424 . . . . 1.0 110.68 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -146.74 -45.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.573 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -43.8 117.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.456 1.122 . . . . 1.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -25.93 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.667 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.13 -46.67 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.676 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.46 -48.53 84.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.305 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -61.77 -49.61 75.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.204 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.01 83.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.208 -0.307 . . . . 1.0 110.543 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.93 81.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.02 -41.04 91.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.509 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.13 -51.88 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 1.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.39 -42.32 31.52 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.349 0.406 . . . . 1.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.22 94.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 1.0 110.555 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.08 -24.06 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -64.28 -17.78 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.628 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -141.72 72.0 1.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.2 tt -129.43 158.32 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.137 0.494 . . . . 1.0 110.444 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.333 0.587 . . . . 1.0 110.412 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 121.302 0.572 . . . . 1.0 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -70.23 -48.61 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.567 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.91 -22.87 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.99 -49.14 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.7 mp -57.81 -45.86 87.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.25 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.893 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.92 -45.65 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.001 0.813 . . . . 1.0 110.457 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.98 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 1.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -60.68 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.655 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.25 73.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 1.0 110.93 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -95.69 17.38 15.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.526 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 1.0 109.936 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 N--CA 1.489 1.214 0 CA-C-O 121.089 0.37 . . . . 1.0 112.227 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 76.4 mm-40 -66.68 -17.41 64.83 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.181 -0.949 . . . . 1.0 110.621 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -70.15 -37.05 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.072 0.463 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.68 -24.43 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 1.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.45 -16.75 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.584 -0.697 . . . . 1.0 110.434 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.2 pp -41.2 -23.03 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.441 -0.787 . . . . 1.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -58.35 -49.8 75.91 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 124.81 1.319 . . . . 1.0 110.668 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -37.4 -40.32 0.62 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.766 1.291 . . . . 1.0 110.925 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.85 -57.99 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.7 mt -43.31 -64.09 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.371 -0.233 . . . . 1.0 110.371 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 19' ' ' ALA . 76.4 mt-30 -50.3 -55.12 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.503 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -46.44 -60.23 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.615 -0.678 . . . . 1.0 110.831 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.62 -65.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.975 0.416 . . . . 1.0 110.628 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -98.91 -131.07 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.588 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.15 -94.17 0.92 Allowed Glycine 0 N--CA 1.475 1.244 0 N-CA-C 111.148 -0.781 . . . . 1.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 m120 55.94 34.84 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.625 -0.338 . . . . 1.0 110.172 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' O ' ' OG ' ' A' ' 25' ' ' SER . 97.0 m-85 -63.1 -52.19 63.63 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.629 0.581 . . . . 1.0 110.18 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -64.93 -42.77 94.4 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.7 0.625 . . . . 1.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.44 -43.57 98.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.107 -0.371 . . . . 1.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 41.5 p -53.4 -26.99 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.013 0.435 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -55.25 -36.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.96 -52.98 36.12 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.102 -0.639 . . . . 1.0 110.802 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 3.7 mm? -59.47 -49.42 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.471 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.64 -45.47 92.7 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.272 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -46.48 -36.32 6.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.645 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.4 -35.84 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.373 0.42 . . . . 1.0 110.474 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.93 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.923 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.22 -40.03 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.845 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -65.27 -37.46 87.27 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.097 -0.377 . . . . 1.0 110.574 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.41 -38.62 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.789 0.68 . . . . 1.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -152.53 89.25 3.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.041 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -85.06 -9.0 8.82 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 121.415 1.41 . . . . 1.0 112.054 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.09 -7.81 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 1.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 42' ' ' TYR . 96.6 mt-10 -86.19 112.08 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 1.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 t -64.72 -45.69 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 1.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -51.57 -32.62 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 1.0 110.39 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 m-85 -71.13 -36.6 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.479 -0.763 . . . . 1.0 110.33 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -72.17 -32.67 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.305 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 tp -52.71 -43.36 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.599 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.3 tpt -61.18 -43.55 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.845 -0.742 . . . . 1.0 110.466 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -50.92 -48.28 60.73 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.949 1.406 . . . . 1.0 110.534 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.34 -49.98 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.17 -40.03 80.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.997 -0.281 . . . . 1.0 110.26 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.49 65.92 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.037 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.45 -41.05 93.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.331 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -63.86 -49.01 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.287 0.565 . . . . 1.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.9 -30.67 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.191 -0.318 . . . . 1.0 110.836 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -77.94 7.66 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.598 0.561 . . . . 1.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 72.55 26.18 2.55 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.803 0.441 . . . . 1.0 110.482 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -108.77 68.95 0.7 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.29 0.567 . . . . 1.0 110.199 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 88' ' ' TYR . 5.5 m-85 -57.71 -40.22 79.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.01 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 -50.18 72.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.772 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.8 -38.37 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.392 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.17 82.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.702 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.26 -41.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -57.68 -36.97 72.63 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.693 -0.629 . . . . 1.0 110.545 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.72 -46.21 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.421 0.451 . . . . 1.0 110.373 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -60.28 -47.72 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.441 . . . . 1.0 110.157 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.7 t30 -62.24 -34.24 76.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.278 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.767 ' O ' HG12 ' A' ' 69' ' ' VAL . 86.4 t80 -63.47 -47.08 83.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.351 1.032 . . . . 1.0 109.986 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.63 -31.4 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.523 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 7.0 mt -89.33 -26.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.697 0.284 . . . . 1.0 110.482 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -73.6 -79.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.334 -0.228 . . . . 1.0 111.036 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 65' ' ' TYR . 2.6 p -48.81 -41.47 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 O-C-N 124.317 1.011 . . . . 1.0 110.597 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.561 HG13 HG13 ' A' ' 69' ' ' VAL . 54.4 mt -112.28 130.17 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 122.0 0.905 . . . . 1.0 109.547 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -78.7 22.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.519 -0.738 . . . . 1.0 110.326 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 70' ' ' ILE . 64.8 t0 -83.85 78.04 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.78 -0.575 . . . . 1.0 110.33 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.05 -4.51 27.27 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 69.2 t80 -80.11 25.03 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -101.71 105.04 15.88 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.522 1.153 . . . . 1.0 110.089 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -60.58 -40.9 93.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.363 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.481 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.76 -50.51 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -60.2 -47.59 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.66 0.267 . . . . 1.0 110.319 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.14 96.07 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.246 -0.284 . . . . 1.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.86 73.93 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.447 0.467 . . . . 1.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.63 -38.21 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.413 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.16 58.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -51.24 -41.95 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.79 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 1.0 110.655 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.54 -32.94 66.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.668 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -62.89 -15.99 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.926 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.456 ' O ' ' CE1' ' A' ' 56' ' ' TYR . 95.7 m-85 -137.76 59.49 1.66 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.253 0.549 . . . . 1.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.75 144.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.209 0.528 . . . . 1.0 110.44 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 1.0 110.601 179.65 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.466 0.373 0 N-CA-C 110.491 -0.189 . . . . 1.0 110.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.63 -52.11 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 1.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.92 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.76 -50.95 61.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.737 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.89 -43.46 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.28 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.525 -0.47 . . . . 1.0 111.174 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.8 -42.02 83.37 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.955 0.784 . . . . 1.0 110.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.72 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.41 -38.78 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.83 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.244 -0.285 . . . . 1.0 110.741 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -62.71 -38.33 90.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.666 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.5 tt . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.268 0.556 . . . . 1.0 110.068 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo . . . . . 0 N--CA 1.491 1.358 0 CA-C-O 121.806 0.669 . . . . 1.0 112.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 71.39 -48.12 0.67 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.189 -0.945 . . . . 1.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 10' ' ' TYR . 96.4 mt-10 -76.56 -35.92 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.323 0.582 . . . . 1.0 110.715 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -55.46 -4.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.0 110.36 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.472 ' C ' ' H ' ' A' ' 12' ' ' GLU . 1.5 p90 -70.19 -10.05 57.65 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 122.114 0.959 . . . . 1.0 111.228 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -50.55 -13.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.353 -0.842 . . . . 1.0 109.946 179.221 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.943 ' N ' HD13 ' A' ' 11' ' ' LEU . 69.3 tt0 -62.5 -52.44 63.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 124.737 1.273 . . . . 1.0 110.399 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.46 -29.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.788 1.305 . . . . 1.0 111.374 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.8 t -80.37 -52.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 122.456 -0.437 . . . . 1.0 110.499 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ALA . 97.3 mt -44.63 -66.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.416 -0.178 . . . . 1.0 110.61 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.604 HE22 ' CG ' ' A' ' 45' ' ' MET . 77.9 mt-30 -46.48 -53.79 10.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.99 0.424 . . . . 1.0 110.221 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -61.22 2.42 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.63 -0.669 . . . . 1.0 110.803 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.85 -75.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.331 0.395 . . . . 1.0 110.347 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.05 114.71 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.83 56.55 4.26 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.119 -0.793 . . . . 1.0 111.119 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 25.3 p30 -122.44 56.58 1.11 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.826 0.346 . . . . 1.0 110.653 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -43.38 -38.75 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.237 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.1 t -57.57 -51.16 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.584 0.552 . . . . 1.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 23' ' ' THR . 88.7 mt-10 -53.67 -43.77 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.172 -0.33 . . . . 1.0 110.749 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -46.24 -24.3 0.45 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.617 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -57.11 -42.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.96 -51.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.414 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.48 -44.57 96.06 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.146 0.904 . . . . 1.0 110.781 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' CE1' ' NZ ' ' A' ' 46' ' ' LYS . 28.3 t80 -58.86 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.08 -37.52 61.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.394 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.5 -47.55 63.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.73 -54.69 41.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.666 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.6 mp -59.11 -43.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.062 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -50.82 -33.31 23.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.118 -0.364 . . . . 1.0 110.302 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.5 mt -73.43 -39.69 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.553 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 21.7 p-10 -173.46 115.3 0.35 Allowed Pre-proline 0 CA--C 1.546 0.818 0 CA-C-O 118.529 -0.748 . . . . 1.0 110.923 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.24 24.61 0.74 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 120.876 1.051 . . . . 1.0 112.245 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -89.31 -6.39 56.75 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.089 -0.382 . . . . 1.0 110.699 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.469 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 4.2 pt-20 -91.68 99.4 12.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 1.0 110.38 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' TRP . 65.9 p -66.55 -45.19 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 1.0 110.913 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -47.51 -28.41 2.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.025 0.441 . . . . 1.0 110.111 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CD2' ' OE2' ' A' ' 39' ' ' GLU . 8.6 m-85 -78.3 -32.54 49.44 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.406 -0.808 . . . . 1.0 110.239 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.5 m95 -73.7 -36.57 65.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.335 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 tp -56.87 -39.08 73.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.52 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.604 ' CG ' HE22 ' A' ' 16' ' ' GLN . 60.4 tpp -67.41 -39.22 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.859 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 21.3 tptm -58.35 -47.03 85.08 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.917 1.386 . . . . 1.0 110.761 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 -48.13 73.83 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.67 -33.84 73.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 1.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.628 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -67.47 -50.13 60.47 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.57 -45.89 85.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.284 -0.871 . . . . 1.0 110.601 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -56.22 -50.6 70.82 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.465 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.35 -26.17 68.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 122.239 -0.288 . . . . 1.0 110.567 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.6 mp -79.67 13.11 2.22 Favored 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 123.628 0.58 . . . . 1.0 110.3 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.42 5.63 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.395 0.678 . . . . 1.0 110.438 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.477 HH11 ' HB3' ' A' ' 53' ' ' LEU . 60.8 mtt85 -92.61 61.9 3.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.361 0.601 . . . . 1.0 109.897 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -55.89 -39.35 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.327 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.0 pt-20 -66.66 -51.18 59.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 15.8 tt0 -63.07 -42.31 99.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.264 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.46 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.327 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG13 ' HZ1' ' A' ' 82' ' ' LYS . 14.0 t -58.64 -35.52 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.8 -38.55 78.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.868 -0.52 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 m -66.4 -52.0 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.473 0.483 . . . . 1.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -59.56 -43.43 93.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.505 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ASN . 7.0 m120 -62.87 -38.49 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.5 -0.48 . . . . 1.0 110.375 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 69' ' ' VAL . 69.3 t80 -58.58 -45.07 89.84 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.346 1.029 . . . . 1.0 109.811 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 80.1 t -66.76 -42.41 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 123.287 0.367 . . . . 1.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.26 -23.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.38 0.609 . . . . 1.0 110.375 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 64' ' ' ASN . 49.3 t30 -84.73 -74.99 0.37 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 70' ' ' ILE . 1.6 p -50.59 -43.71 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 124.367 1.042 . . . . 1.0 110.469 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.686 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.4 mt -102.38 132.5 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.584 1.183 . . . . 1.0 109.331 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -95.26 27.03 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.463 -0.773 . . . . 1.0 110.587 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 70' ' ' ILE . 81.6 m-20 -82.82 43.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.679 -0.638 . . . . 1.0 110.076 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.53 73.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.01 0.433 . . . . 1.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.567 ' N ' ' O ' ' A' ' 72' ' ' ASP . 65.8 t80 -166.89 30.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.541 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -106.72 106.71 17.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.355 1.074 . . . . 1.0 110.076 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.07 -38.73 92.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.434 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.52 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.561 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.56 -47.31 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -58.6 -44.02 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 1.0 110.309 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -38.07 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.161 -0.337 . . . . 1.0 110.631 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.24 78.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.557 ' HZ1' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -61.45 -45.06 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.167 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.79 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -52.47 -41.68 63.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.168 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.06 89.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 1.0 110.492 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' ILE . 90.4 mt -72.97 -29.21 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.626 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.76 -17.16 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.028 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -129.15 53.22 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 86' ' ' LEU . 17.5 tt -126.8 132.67 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.104 0.478 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 1.0 110.446 179.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 94' ' ' VAL . 11.9 p . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.517 0.199 . . . . 1.0 110.54 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.05 -49.78 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 1.0 110.432 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.48 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.772 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.24 -44.87 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.942 0.401 . . . . 1.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.54 -44.91 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.08 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.11 79.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.88 -45.79 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.937 0.773 . . . . 1.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.71 95.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.775 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -62.88 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 1.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.37 -28.07 60.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 1.0 110.878 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -95.9 -0.98 50.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.487 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.2 tt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.308 0.575 . . . . 1.0 109.708 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo . . . . . 0 N--CA 1.492 1.416 0 CA-C-O 120.834 0.264 . . . . 1.0 111.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -58.55 -18.08 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.193 -0.942 . . . . 1.0 110.721 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.76 -37.61 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.409 0.623 . . . . 1.0 110.701 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.41 -16.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -56.68 -12.16 1.71 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.676 -0.64 . . . . 1.0 110.13 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -43.93 -21.99 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.357 -0.839 . . . . 1.0 110.801 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE2' ' CE1' ' A' ' 29' ' ' PHE . 19.2 pt-20 -54.41 -49.46 69.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.857 1.348 . . . . 1.0 110.479 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -36.08 -37.54 0.18 Allowed Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.717 1.26 . . . . 1.0 110.986 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -54.41 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.497 -0.413 . . . . 1.0 110.631 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 19' ' ' ALA . 69.0 mt -43.51 -63.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.439 -0.163 . . . . 1.0 110.608 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 22' ' ' TYR . 60.4 tp60 -47.24 -54.83 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.498 -0.481 . . . . 1.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -50.39 -61.33 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.591 -0.693 . . . . 1.0 111.052 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.3 -72.43 0.33 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.493 0.663 . . . . 1.0 110.658 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -88.45 86.72 7.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.563 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.23 80.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.482 -0.647 . . . . 1.0 111.482 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' ALA . 1.3 m-20 -127.43 58.87 1.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.805 0.336 . . . . 1.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 m-85 -42.54 -39.51 2.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.326 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.0 t -59.83 -48.84 80.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.427 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.57 ' N ' HG23 ' A' ' 23' ' ' THR . 48.9 tp10 -56.54 -46.31 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.668 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -50.9 -26.78 6.31 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.656 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' THR . 1.6 tp -57.99 -44.53 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.297 0.57 . . . . 1.0 110.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 92.1 m-20 -55.1 -44.84 75.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.313 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -67.6 -43.56 80.18 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.158 0.911 . . . . 1.0 110.563 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' OE2' ' A' ' 12' ' ' GLU . 37.6 m-85 -59.33 -48.55 81.19 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.046 -0.661 . . . . 1.0 110.384 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -55.35 -40.73 71.6 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.593 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -63.02 -46.01 89.64 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.163 -0.615 . . . . 1.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.42 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.515 -0.474 . . . . 1.0 110.701 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.62 -48.16 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.675 0.609 . . . . 1.0 109.896 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -56.17 -38.33 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.085 -0.384 . . . . 1.0 110.531 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.27 -47.12 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.873 0.733 . . . . 1.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -170.62 109.46 0.43 Allowed Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.402 -0.809 . . . . 1.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.97 117.8 2.62 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 121.21 1.274 . . . . 1.0 111.931 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' H ' ' H ' ' A' ' 39' ' ' GLU . 41.7 tt0 -175.22 -14.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.11 0.481 . . . . 1.0 110.988 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' ' CE2' ' A' ' 43' ' ' TRP . 72.9 mt-10 -92.67 97.45 10.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.869 0.366 . . . . 1.0 110.549 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -65.0 -44.36 89.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.426 0.632 . . . . 1.0 111.251 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -51.28 -31.05 19.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 1.0 110.39 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -78.62 -36.76 43.67 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.398 -0.814 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CE2' ' O ' ' A' ' 39' ' ' GLU . 1.4 m95 -76.08 -27.61 57.25 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.29 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.21 -40.97 87.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.023 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 mmt -66.5 -36.89 83.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.441 0.463 . . . . 1.0 110.827 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HZ3' HD11 ' A' ' 50' ' ' LEU . 65.6 tttm -58.0 -48.65 79.37 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.923 1.389 . . . . 1.0 110.457 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.06 69.6 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.61 -28.68 70.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.809 0.338 . . . . 1.0 110.605 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -68.48 -50.34 53.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HZ3' ' A' ' 46' ' ' LYS . 26.0 mt -63.99 -43.49 95.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.192 -0.913 . . . . 1.0 110.682 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' ALA . 1.8 t80 -58.6 -50.61 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.33 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.77 -25.88 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.999 -0.281 . . . . 1.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.2 mp -78.63 16.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.504 0.503 . . . . 1.0 110.563 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 74.65 8.44 4.33 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.42 0.688 . . . . 1.0 110.458 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -102.74 89.24 3.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.267 0.556 . . . . 1.0 109.993 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.58 -35.97 57.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.789 0.804 . . . . 1.0 110.237 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.49 -47.94 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.163 -0.926 . . . . 1.0 111.066 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.31 -45.69 86.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.504 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB2' ' N ' ' A' ' 51' ' ' TYR . . . -56.57 -44.28 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' TYR . 40.8 t -61.0 -36.81 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.16 -35.93 74.39 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.789 -0.569 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.77 -49.64 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.392 0.433 . . . . 1.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 63' ' ' TYR . 1.6 t80 -50.35 -45.51 55.15 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.52 -0.472 . . . . 1.0 109.94 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 32.6 m120 -60.42 -29.69 69.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.707 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 38.3 t80 -57.48 -49.35 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.459 1.1 . . . . 1.0 109.895 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.0 t -65.91 -45.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.756 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.51 -26.48 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.018 0.437 . . . . 1.0 110.164 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASN . 21.4 t-20 -87.76 -69.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.644 -0.253 . . . . 1.0 110.951 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 97.2 t -52.88 -48.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 124.349 1.031 . . . . 1.0 110.556 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 66' ' ' VAL . 48.5 mt -105.82 121.76 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.498 0.666 . . . . 1.0 109.587 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' GLU . 82.9 tt0 -59.49 -28.74 67.3 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.528 -0.732 . . . . 1.0 110.639 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' H ' HG22 ' A' ' 70' ' ' ILE . 61.4 m-20 -50.13 87.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.752 -0.592 . . . . 1.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.9 pp20? -101.0 -3.29 29.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.234 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 59.3 t80 -85.05 45.17 1.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.199 0.523 . . . . 1.0 110.656 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -105.75 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.492 1.139 . . . . 1.0 110.162 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 63.9 mttp -62.54 -35.57 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.643 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -69.59 -47.53 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.6 -51.56 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.677 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.418 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 15.7 m95 -59.18 -42.7 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 1.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.44 89.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.19 -0.319 . . . . 1.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.13 97.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.06 -40.42 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.513 . . . . 1.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.15 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.687 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -56.2 -42.22 76.81 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.397 0.436 . . . . 1.0 109.982 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.86 94.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 1.0 110.595 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 88' ' ' TYR . 80.8 mt -67.24 -21.14 65.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 64.2 ttt-85 -73.67 25.93 0.07 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.407 -0.517 . . . . 1.0 110.534 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.513 ' H ' ' C ' ' A' ' 86' ' ' LEU . 91.1 m-85 -158.51 27.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.461 0.476 . . . . 1.0 110.723 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.62 138.12 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.104 0.478 . . . . 1.0 110.271 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.113 0.482 . . . . 1.0 110.311 179.649 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.802 0.335 . . . . 1.0 110.296 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.87 -47.6 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.68 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -75.0 -42.41 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.43 . . . . 1.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.41 -47.53 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.108 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.61 73.08 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.355 -0.538 . . . . 1.0 111.105 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -58.63 -46.67 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.989 0.805 . . . . 1.0 110.117 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -68.03 -44.62 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.2 -37.29 79.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.611 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.6 97.49 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.235 -0.291 . . . . 1.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -93.14 -14.12 27.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ALA . 35.3 tp . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 121.483 0.659 . . . . 1.0 109.991 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 121.014 0.339 . . . . 1.0 112.187 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.63 -44.58 56.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.222 -0.924 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.48 -33.86 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 1.0 110.795 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 4.4 m-30 -52.19 -22.48 4.37 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.237 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.1 p90 -50.47 -20.74 1.22 Allowed 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.599 -0.688 . . . . 1.0 110.172 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -43.48 -24.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.443 -0.785 . . . . 1.0 110.864 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -56.02 -52.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.783 1.302 . . . . 1.0 110.94 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -32.46 -35.09 0.02 OUTLIER Glycine 0 N--CA 1.475 1.246 0 O-C-N 124.752 1.283 . . . . 1.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.7 t -75.19 -51.05 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.6 -0.353 . . . . 1.0 110.747 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLU . 90.8 mt -43.61 -67.74 0.25 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 122.358 -0.214 . . . . 1.0 110.53 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.64 -56.71 6.63 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.081 -0.341 . . . . 1.0 110.081 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.1 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.681 -0.637 . . . . 1.0 110.738 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -75.49 -78.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.505 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.81 103.53 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.35 0.595 . . . . 1.0 110.47 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.44 73.91 0.15 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -138.45 61.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.608 -0.348 . . . . 1.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -43.3 -35.26 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.39 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 26' ' ' ILE . 97.3 m -60.48 -49.51 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.079 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -55.93 -43.96 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 p -52.74 -24.83 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 1.0 110.714 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 23' ' ' THR . 8.2 tt -58.44 -41.69 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.505 0.669 . . . . 1.0 110.647 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 94.1 m-20 -57.85 -43.28 85.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.917 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -68.47 -44.9 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.097 0.873 . . . . 1.0 110.673 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -59.38 -47.96 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.706 -0.798 . . . . 1.0 110.466 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.98 -39.17 71.44 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.443 -0.503 . . . . 1.0 110.647 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -58.61 -43.7 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.29 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.221 -0.591 . . . . 1.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -60.46 -44.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.065 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -54.78 -46.59 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.115 -0.366 . . . . 1.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.38 -42.64 78.83 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.755 0.66 . . . . 1.0 110.599 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -140.66 93.3 8.64 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.796 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -87.61 54.72 2.67 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.378 1.385 . . . . 1.0 112.119 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -153.99 35.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 1.0 110.15 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -125.72 112.7 16.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.232 0.539 . . . . 1.0 110.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -68.49 -45.79 71.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.063 0.459 . . . . 1.0 110.989 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -50.3 -37.13 34.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 1.0 110.012 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.07 -35.67 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 1.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -75.52 -34.57 60.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 78' ' ' VAL . 8.8 tt -58.7 -39.72 81.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.364 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.454 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -66.19 -39.95 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.927 -0.709 . . . . 1.0 110.89 -179.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.28 -46.45 79.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.9 1.375 . . . . 1.0 110.653 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.24 -47.69 73.18 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.159 -0.777 . . . . 1.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE2' HD21 ' A' ' 44' ' ' LEU . 64.4 mttm -61.18 -33.55 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.946 -0.301 . . . . 1.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.67 -50.01 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.799 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 62' ' ' CYS . 46.3 mt -64.44 -40.28 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.72 -51.16 70.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.335 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -62.36 -24.76 67.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.238 -0.289 . . . . 1.0 110.617 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.55 14.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.64 0.588 . . . . 1.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 72.8 7.48 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.372 0.669 . . . . 1.0 110.288 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -93.36 65.26 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 1.0 110.082 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 60' ' ' VAL . 32.3 m-85 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.069 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 9.6 pt-20 -67.55 -51.35 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 41.4 tt0 -59.95 -43.69 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.414 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.73 95.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.429 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 56' ' ' TYR . 24.9 t -58.19 -42.19 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.95 -35.08 75.82 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.792 -0.568 . . . . 1.0 110.348 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 50' ' ' LEU . 85.0 m -69.93 -52.63 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.429 0.456 . . . . 1.0 110.529 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.37 -41.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.043 -0.663 . . . . 1.0 110.751 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' ASN . 42.2 t30 -62.1 -33.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.593 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.82 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 54.1 t80 -56.58 -43.75 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.455 1.097 . . . . 1.0 110.07 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.33 -44.1 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.96 -25.42 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.141 0.496 . . . . 1.0 109.873 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ASN . 27.5 t-20 -87.76 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.53 -0.305 . . . . 1.0 111.079 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.82 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 90.2 t -51.07 -45.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 124.399 1.062 . . . . 1.0 110.396 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 72' ' ' ASP . 28.1 mt -107.3 120.73 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 1.0 109.747 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 73' ' ' GLU . 80.6 mm-40 -74.82 18.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.471 -0.768 . . . . 1.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t0 -71.46 41.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.763 -0.586 . . . . 1.0 110.403 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 71' ' ' GLU . 76.9 tt0 -61.28 72.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.165 0.507 . . . . 1.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 74' ' ' TYR . 69.7 t80 -168.04 34.01 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -108.3 108.52 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.951 0.881 . . . . 1.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.54 -36.59 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.87 -0.519 . . . . 1.0 110.79 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 44' ' ' LEU . 65.0 t0 -62.75 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 44' ' ' LEU . 75.1 t -64.92 -46.77 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.464 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 36.0 m0 -60.67 -45.11 95.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 1.0 110.229 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.51 98.76 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.271 -0.268 . . . . 1.0 110.866 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.798 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -61.29 -42.09 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.413 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.65 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.389 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.08 -41.6 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.112 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.46 93.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.409 . . . . 1.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 88' ' ' TYR . 96.0 mt -65.69 -41.14 92.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -55.91 -5.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.473 ' H ' ' C ' ' A' ' 86' ' ' LEU . 84.3 m-85 -143.16 55.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.159 0.504 . . . . 1.0 110.749 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.6 tt -129.07 139.86 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.14 0.495 . . . . 1.0 110.62 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 1.0 110.752 179.625 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.531 -0.174 . . . . 1.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -66.53 -48.02 71.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.928 0.394 . . . . 1.0 110.387 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.92 77.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.28 -47.26 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.88 -43.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.133 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.8 75.39 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.965 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.23 -47.67 82.81 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.965 0.791 . . . . 1.0 110.727 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.32 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.762 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -64.42 -41.34 96.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.452 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.89 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 1.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -66.79 -43.63 83.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.643 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.261 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 N--CA 1.496 1.638 0 CA-C-O 121.235 0.431 . . . . 1.0 112.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.17 -16.17 63.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.13 -0.981 . . . . 1.0 110.356 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -72.83 -32.74 65.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.345 0.403 . . . . 1.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.899 0.38 . . . . 1.0 110.462 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -49.52 -16.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 1.0 110.446 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -41.63 -22.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.503 -0.748 . . . . 1.0 110.776 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.4 pt-20 -58.7 -48.92 79.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 124.812 1.32 . . . . 1.0 110.616 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -38.18 -40.52 0.88 Allowed Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.783 1.302 . . . . 1.0 110.908 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.75 -58.36 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.974 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.0 mt -43.54 -64.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.283 -0.266 . . . . 1.0 110.283 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' ALA . 9.6 tp-100 -49.49 -54.92 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.206 -0.294 . . . . 1.0 110.206 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.58 -61.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.624 -0.672 . . . . 1.0 110.757 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -66.47 -67.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 1.0 110.444 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -103.0 -128.27 0.23 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.99 -92.6 0.75 Allowed Glycine 0 N--CA 1.471 0.999 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 57.04 37.4 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.599 -0.354 . . . . 1.0 110.352 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.799 ' CD2' HD21 ' A' ' 53' ' ' LEU . 10.5 p90 -64.62 -54.03 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.645 0.591 . . . . 1.0 110.413 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 26' ' ' ILE . 99.5 m -64.53 -42.87 95.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.626 0.579 . . . . 1.0 110.268 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.05 -44.75 94.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.893 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 71.4 p -53.23 -28.11 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.297 0.57 . . . . 1.0 110.785 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 23' ' ' THR . 7.3 tt -52.33 -35.22 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 1.0 110.492 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 27.1 t70 -65.85 -49.64 67.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.51 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.4 mm? -60.42 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.123 -0.944 . . . . 1.0 110.633 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.55 -47.43 83.88 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.563 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 29' ' ' PHE . 80.6 tt0 -51.85 -38.65 56.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.676 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 27' ' ' ASP . 59.5 mttp -66.67 -40.14 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.816 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.65 70.99 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 8.1 mt -63.1 -36.18 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.232 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.76 -41.67 87.09 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.103 -0.373 . . . . 1.0 110.515 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.0 -40.2 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.492 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -146.25 99.88 4.2 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.896 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.63 83.92 1.33 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.211 1.274 . . . . 1.0 111.529 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -175.06 -9.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.505 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -71.14 97.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.206 0.527 . . . . 1.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -63.76 -46.28 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.935 0.398 . . . . 1.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -49.42 -30.58 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 1.0 110.178 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.04 -36.73 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.416 -0.802 . . . . 1.0 110.604 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -67.14 -30.95 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.376 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.62 -41.83 67.1 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.564 -0.743 . . . . 1.0 110.715 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.6 mmm -63.55 -40.79 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.892 -0.723 . . . . 1.0 110.352 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -50.92 -58.86 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.893 1.371 . . . . 1.0 110.921 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.98 59.85 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -56.25 -39.33 72.42 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.568 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.43 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 1.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.41 -41.52 97.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.27 -49.52 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.491 . . . . 1.0 110.496 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.47 -30.57 71.35 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 ' CD2' ' A' ' 22' ' ' TYR . 25.5 mt -74.09 1.78 10.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 123.693 0.621 . . . . 1.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 80.19 22.81 0.44 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.669 0.388 . . . . 1.0 110.852 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -109.59 70.81 0.74 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.269 0.556 . . . . 1.0 109.727 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.65 -40.39 79.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.861 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.69 -51.29 67.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.729 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -65.98 -38.37 88.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.406 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.97 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.773 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.79 -43.22 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -63.76 -38.57 91.61 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.801 -0.562 . . . . 1.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 t -71.08 -52.1 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.395 0.435 . . . . 1.0 110.367 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -50.4 -41.65 52.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.215 -0.594 . . . . 1.0 110.178 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.3 t30 -59.04 -24.09 62.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.629 -0.428 . . . . 1.0 110.223 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.738 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 50.3 t80 -59.48 -45.43 91.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.409 1.068 . . . . 1.0 109.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.1 t -67.18 -46.49 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 123.32 0.388 . . . . 1.0 110.683 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.6 mp -67.29 -38.62 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.165 0.507 . . . . 1.0 110.204 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -75.21 -71.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.96 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 74.5 t -49.08 -46.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.331 1.019 . . . . 1.0 110.627 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 66' ' ' VAL . 57.5 mt -113.1 130.46 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.795 0.807 . . . . 1.0 109.747 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 73' ' ' GLU . 26.2 tp10 -78.24 24.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.434 -0.791 . . . . 1.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 74' ' ' TYR . 32.8 p-10 -74.94 23.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.657 -0.652 . . . . 1.0 110.512 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 71' ' ' GLU . 83.7 tt0 -56.14 79.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 87.1 t80 -168.08 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -43.6 112.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.975 0.893 . . . . 1.0 110.494 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -61.44 -36.8 81.4 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.832 -0.542 . . . . 1.0 110.417 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.78 -46.94 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.778 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.49 -49.47 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.371 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.46 -47.8 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 1.0 110.196 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.72 90.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.198 -0.314 . . . . 1.0 110.671 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.87 88.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.69 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.473 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -50.35 -41.7 51.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.226 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.49 95.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 1.0 110.544 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 89' ' ' ILE . 88.7 mt -71.87 -19.52 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.89 -11.04 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.25 47.81 2.38 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.605 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 86' ' ' LEU . 15.0 tt -129.65 140.87 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.121 0.486 . . . . 1.0 110.412 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.445 0.64 . . . . 1.0 110.477 179.707 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.97 -51.75 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 1.0 110.638 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.69 -52.03 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.212 -0.595 . . . . 1.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.8 -43.09 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.17 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.72 -55.09 37.4 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.862 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.68 -39.09 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.04 0.837 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -48.29 53.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 1.0 110.736 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.13 -39.69 90.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.657 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.79 78.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 1.0 111.158 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.08 -46.72 41.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.681 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.6 tt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.036 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 8' ' ' GLU . 31.7 Cg_exo . . . . . 0 N--CA 1.495 1.612 0 CA-C-O 121.364 0.485 . . . . 1.0 112.299 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 68.27 -48.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.145 -0.972 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' PRO . 80.6 mm-40 -77.05 -36.74 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.27 0.557 . . . . 1.0 110.904 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -53.78 -13.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.26 -10.21 1.89 Allowed 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.63 -0.669 . . . . 1.0 110.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -46.84 -26.67 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.472 -0.767 . . . . 1.0 110.765 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' VAL . 15.4 tm-20 -52.51 -51.49 59.23 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 124.75 1.281 . . . . 1.0 110.827 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -34.62 -32.58 0.02 OUTLIER Glycine 0 N--CA 1.472 1.099 0 O-C-N 124.784 1.303 . . . . 1.0 111.19 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLU . 40.9 t -80.96 -51.81 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 O-C-N 122.467 -0.431 . . . . 1.0 110.618 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.9 mt -44.43 -67.72 0.26 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 22' ' ' TYR . 26.7 tp60 -47.06 -53.15 13.31 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.282 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.65 -61.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.64 -0.663 . . . . 1.0 110.728 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -76.38 -75.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.633 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.89 112.81 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.638 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.23 59.64 4.55 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.7 p30 -121.1 59.07 0.95 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.514 -0.404 . . . . 1.0 110.399 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 90.7 m-85 -39.02 -38.73 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.343 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -55.03 -49.73 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.621 0.575 . . . . 1.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.65 -45.09 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.937 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -50.45 -36.87 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 1.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.85 -44.18 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 O-C-N 122.015 -0.428 . . . . 1.0 110.213 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.039 -0.664 . . . . 1.0 110.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.648 HD13 ' C ' ' A' ' 28' ' ' LEU . 3.4 tm? -69.56 -43.23 73.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.063 0.852 . . . . 1.0 110.92 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.96 -45.31 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.777 -0.769 . . . . 1.0 110.398 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.97 -35.38 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.502 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.25 -47.1 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.72 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.63 -52.14 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.879 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.14 -42.36 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.164 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -51.95 -35.74 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.116 -0.365 . . . . 1.0 110.439 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.43 -40.08 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.611 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -165.43 114.46 0.83 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.94 -0.552 . . . . 1.0 110.733 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' H ' ' A' ' 39' ' ' GLU . 66.1 Cg_endo -82.78 -10.33 10.64 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 121.122 1.215 . . . . 1.0 112.078 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -70.46 37.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.42 . . . . 1.0 110.679 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.7 mt-10 -130.27 99.43 5.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.22 0.533 . . . . 1.0 110.21 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -66.88 -45.32 78.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 1.0 110.891 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.475 ' O ' ' SD ' ' A' ' 45' ' ' MET . 25.8 mtmm -48.88 -32.35 8.74 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -77.48 -33.17 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.407 -0.808 . . . . 1.0 110.479 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -78.15 -39.29 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.441 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -67.9 -38.89 83.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.843 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -57.36 -46.28 83.5 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.903 1.377 . . . . 1.0 110.494 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.1 -43.81 56.48 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.43 -34.17 74.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 1.0 110.478 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.24 61.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.919 0.39 . . . . 1.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.53 -43.03 95.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.664 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -57.52 -50.16 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.342 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.81 -24.3 66.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 121.005 -0.278 . . . . 1.0 110.603 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 50.5 mt -81.26 15.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.632 0.583 . . . . 1.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 84.7 mt-10 71.32 7.09 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.558 0.743 . . . . 1.0 110.383 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -91.92 60.07 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 1.0 110.095 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.54 -37.83 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.419 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.83 -51.28 50.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.28 -42.75 99.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.441 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.9 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.75 -36.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.946 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -60.04 -36.66 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.775 -0.578 . . . . 1.0 110.484 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.2 m -69.14 -50.49 47.43 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.386 0.429 . . . . 1.0 110.638 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -59.3 -43.26 92.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.03 -36.47 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.786 -0.365 . . . . 1.0 110.595 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.866 ' O ' HG22 ' A' ' 69' ' ' VAL . 60.2 t80 -59.22 -44.27 92.29 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.448 1.092 . . . . 1.0 109.94 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 98.5 t -63.65 -34.01 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 O-C-N 123.276 0.36 . . . . 1.0 110.467 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.5 mt -81.43 -22.05 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 1.0 110.184 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -80.71 -79.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.305 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 65' ' ' TYR . 4.8 m -46.64 -40.42 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 124.305 1.003 . . . . 1.0 110.46 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.551 HG13 HG23 ' A' ' 69' ' ' VAL . 52.5 mt -107.59 115.65 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 122.065 0.936 . . . . 1.0 109.461 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -70.02 27.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.466 -0.771 . . . . 1.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 70' ' ' ILE . 21.7 t0 -46.75 -56.96 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.783 -0.573 . . . . 1.0 110.414 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASP . 96.4 mt-10 32.18 42.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.369 0.604 . . . . 1.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -152.22 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.799 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.438 ' C ' HD22 ' A' ' 75' ' ' ASN . 0.3 OUTLIER -52.19 110.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.279 1.038 . . . . 1.0 110.262 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' N ' HD22 ' A' ' 75' ' ' ASN . 45.3 mmtm -65.0 -37.99 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.555 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.61 -40.89 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.549 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.57 -46.58 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.483 ' CZ3' ' NH2' ' A' ' 102' ' ' ARG . 71.2 m95 -64.97 -47.07 78.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 1.0 110.338 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.227 -0.296 . . . . 1.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.82 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -61.54 -36.12 79.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.216 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.83 -47.87 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.575 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.9 -42.34 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.3 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.9 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 1.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.469 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -66.84 -20.09 65.86 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -130.04 58.15 1.67 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.744 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 tt -127.37 136.02 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.087 0.47 . . . . 1.0 110.416 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 1.0 110.508 179.549 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.164 0 N-CA-C 110.265 -0.272 . . . . 1.0 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -58.38 -48.34 80.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.848 0.356 . . . . 1.0 110.619 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.26 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.881 -0.328 . . . . 1.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -67.61 -46.62 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.101 0.477 . . . . 1.0 110.575 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.8 mp -61.08 -44.68 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.144 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.46 72.03 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.738 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -58.89 -46.37 87.99 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.0 0.812 . . . . 1.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.06 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 1.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' NH2' ' CZ3' ' A' ' 79' ' ' TRP . 57.6 ttp180 -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 1.0 110.58 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.78 79.11 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.187 -0.321 . . . . 1.0 111.029 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -67.55 -44.05 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 1.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.181 -179.576 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.066 -0.716 . . . . 1.0 109.066 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.401 ' O ' ' OD1' ' A' ' 3' ' ' ASP . 58.9 t -96.87 112.77 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.208 0.528 . . . . 1.0 110.182 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 2' ' ' VAL . 85.0 m-20 -143.73 109.13 5.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.334 0.588 . . . . 1.0 110.589 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -138.13 -66.97 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.077 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.8 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 15.1 m120 -159.49 -35.31 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.812 0 CA-C-N 115.528 -0.76 . . . . 1.0 112.497 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.8 ' CD ' ' H ' ' A' ' 5' ' ' ASN . 56.1 Cg_endo -82.81 24.55 0.73 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 121.659 1.573 . . . . 1.0 112.027 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -75.24 -46.57 32.93 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.167 -0.958 . . . . 1.0 110.531 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' N ' ' CD ' ' A' ' 8' ' ' GLU . 40.2 mp0 -74.0 -33.7 63.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 1.0 110.607 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' N ' ' A' ' 11' ' ' LEU . 27.6 m-85 -53.65 -22.4 8.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.442 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' C ' ' N ' ' A' ' 12' ' ' GLU . 1.3 p90 -48.94 -14.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.549 0.69 . . . . 1.0 110.464 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 ' N ' ' C ' ' A' ' 9' ' ' TYR . 2.1 pp -48.03 -20.27 0.33 Allowed 'General case' 0 CA--C 1.516 -0.338 0 O-C-N 121.447 -0.783 . . . . 1.0 110.51 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 14' ' ' VAL . 13.6 tm-20 -57.55 -54.31 48.28 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.827 1.329 . . . . 1.0 110.8 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -33.91 -32.59 0.02 OUTLIER Glycine 0 N--CA 1.475 1.245 0 O-C-N 124.735 1.272 . . . . 1.0 111.151 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 12' ' ' GLU . 39.1 t -76.65 -51.97 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 O-C-N 122.458 -0.436 . . . . 1.0 110.582 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 19' ' ' ALA . 86.2 mt -43.94 -65.66 0.48 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 119.649 -0.215 . . . . 1.0 110.432 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -46.09 -56.08 6.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.313 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.62 -64.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.571 -0.706 . . . . 1.0 110.814 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.77 -71.85 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.971 0.415 . . . . 1.0 110.502 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -68.58 110.02 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 1.0 110.343 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.25 65.03 2.74 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.046 -0.821 . . . . 1.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' GLU . 40.7 t-20 -140.77 63.34 1.46 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.277 0.56 . . . . 1.0 110.508 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.4 -34.23 0.5 Allowed 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.097 -0.956 . . . . 1.0 110.176 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 26' ' ' ILE . 14.4 m -62.41 -45.77 91.63 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.581 0.551 . . . . 1.0 110.049 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' ASN . 83.9 tt0 -56.41 -45.78 80.5 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.179 -0.326 . . . . 1.0 110.883 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.6 p -50.3 -23.02 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.218 0.532 . . . . 1.0 110.56 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 23' ' ' THR . 8.7 tt -60.78 -41.93 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.251 0.548 . . . . 1.0 110.522 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 63.0 m-20 -58.54 -47.66 83.46 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 120.274 -0.57 . . . . 1.0 110.116 -178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.3 mm? -68.6 -43.07 77.25 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.092 0.87 . . . . 1.0 110.823 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.42 ' CZ ' HD11 ' A' ' 33' ' ' ILE . 65.6 t80 -59.75 -48.86 79.98 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.38 -0.528 . . . . 1.0 110.407 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -53.64 -38.51 64.16 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.608 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -67.55 -45.6 75.16 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.671 -0.412 . . . . 1.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.91 -50.91 63.0 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.483 -0.487 . . . . 1.0 110.733 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.42 HD11 ' CZ ' ' A' ' 29' ' ' PHE . 51.8 mt -64.5 -41.03 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 123.691 0.619 . . . . 1.0 110.557 178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -53.96 -33.19 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.061 -0.399 . . . . 1.0 110.537 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.72 -49.26 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -172.35 112.83 0.38 Allowed Pre-proline 0 CA--C 1.543 0.704 0 CA-C-O 118.854 -0.593 . . . . 1.0 110.484 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -83.46 124.06 3.54 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 121.13 1.22 . . . . 1.0 111.672 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? 176.31 -8.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -96.67 108.42 21.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.201 0.524 . . . . 1.0 110.326 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.3 t -67.2 -46.65 73.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.195 0.521 . . . . 1.0 111.133 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -47.73 -27.99 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.281 0.562 . . . . 1.0 110.168 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -77.06 -33.73 57.18 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.321 -0.862 . . . . 1.0 110.22 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -73.18 -35.36 66.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.024 -0.361 . . . . 1.0 110.024 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.3 tp -57.66 -39.25 76.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.462 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -64.26 -38.53 91.37 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.961 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -58.23 -44.49 88.24 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 124.884 1.365 . . . . 1.0 110.645 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -54.54 -49.43 60.97 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -58.77 -34.55 71.56 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.855 -0.338 . . . . 1.0 110.398 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.5 -50.19 54.02 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.824 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.46 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.362 -0.835 . . . . 1.0 110.716 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.28 -50.72 72.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.389 -0.524 . . . . 1.0 110.233 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -61.97 -27.91 69.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 122.268 -0.27 . . . . 1.0 110.572 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -77.09 11.09 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.792 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' C ' ' HE ' ' A' ' 55' ' ' ARG . 4.1 tp10 76.07 10.62 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 122.976 0.511 . . . . 1.0 110.305 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HE ' ' C ' ' A' ' 54' ' ' GLU . 5.0 mmp_? -97.72 68.29 2.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.297 0.57 . . . . 1.0 110.242 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 60' ' ' VAL . 2.4 m-85 -60.87 -41.21 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.951 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.69 -50.4 62.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.729 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.1 OUTLIER -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.559 -0.746 . . . . 1.0 110.601 -179.702 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.39 -40.92 75.4 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.811 -0.356 . . . . 1.0 110.501 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 56' ' ' TYR . 39.9 t -60.01 -38.35 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -54.9 -34.55 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.786 -0.571 . . . . 1.0 110.467 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.3 m -71.77 -45.27 62.19 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.42 0.45 . . . . 1.0 110.716 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.629 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 1.8 t80 -57.87 -46.91 84.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ASN . 25.4 t-20 -66.75 -34.6 78.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 120.74 -0.384 . . . . 1.0 110.342 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.642 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 58.2 t80 -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 124.367 1.042 . . . . 1.0 110.425 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 93.2 t -59.6 -30.67 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.397 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.629 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 11.2 mt -89.39 -24.16 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 110.18 -0.304 . . . . 1.0 110.18 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASN . 64.4 t-20 -80.63 -65.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.364 -0.21 . . . . 1.0 110.847 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.642 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 96.1 t -60.09 -46.43 94.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.319 1.012 . . . . 1.0 110.425 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' ASP . 58.3 mt -107.74 130.32 60.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-O 121.907 0.86 . . . . 1.0 109.671 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 71' ' ' GLU . 57.5 mp0 -77.0 23.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.532 -0.73 . . . . 1.0 110.512 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.9 t0 -76.87 46.01 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.767 -0.583 . . . . 1.0 110.216 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -77.49 77.82 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.229 0.537 . . . . 1.0 110.332 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.437 ' CE2' ' NZ ' ' A' ' 76' ' ' LYS . 73.6 t80 -168.11 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -49.36 107.82 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 122.132 0.968 . . . . 1.0 110.344 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' NZ ' ' CE2' ' A' ' 74' ' ' TYR . 60.8 mttp -59.99 -42.97 95.4 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.843 -0.536 . . . . 1.0 110.629 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -59.41 -40.5 86.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.47 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.52 -50.55 77.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.523 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CH2' ' OH ' ' A' ' 63' ' ' TYR . 59.9 m95 -57.56 -43.32 84.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.734 0.302 . . . . 1.0 110.243 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.91 95.38 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.268 -0.27 . . . . 1.0 110.75 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.73 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.74 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.528 ' NZ ' ' CD1' ' A' ' 63' ' ' TYR . 33.3 tttp -57.86 -45.15 86.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.162 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.15 -48.82 53.59 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.514 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -56.91 -35.18 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.138 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.86 -46.32 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.121 0.486 . . . . 1.0 110.74 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 88' ' ' TYR . 10.0 mp -66.09 -35.56 80.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.59 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 87' ' ' ARG . 0.9 OUTLIER -52.32 -9.4 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.218 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 86' ' ' LEU . 97.8 m-85 -144.52 62.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.099 0.476 . . . . 1.0 110.47 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -129.73 141.23 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.452 0.644 . . . . 1.0 110.345 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 90' ' ' GLU . 58.0 mp0 -83.33 94.31 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.44 0.638 . . . . 1.0 110.573 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.25 -134.9 3.16 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.789 -0.925 . . . . 1.0 110.789 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -72.17 144.82 48.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 1.0 110.23 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -98.47 -24.24 15.23 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.485 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -63.16 -21.96 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.5 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -65.45 -49.88 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.954 0.407 . . . . 1.0 110.523 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.84 -34.87 68.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.858 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.46 -47.41 73.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.961 0.41 . . . . 1.0 110.609 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.1 mt -58.68 -41.0 81.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.3 -50.22 70.92 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.27 -44.92 76.09 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.989 0.805 . . . . 1.0 110.624 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.7 -41.26 79.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 1.0 110.817 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -62.67 -41.42 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.192 0.52 . . . . 1.0 110.734 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.44 -40.16 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.959 0.409 . . . . 1.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -87.1 18.12 3.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.674 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' O ' ' ND1' ' A' ' 107' ' ' HIS . 23.1 tp -62.68 -40.59 97.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.763 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 107' ' ' HIS . 77.5 tt0 -52.2 -31.27 31.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.522 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' CG ' ' O ' ' A' ' 106' ' ' GLU . 11.7 p-80 43.01 -164.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.72 0.295 . . . . 1.0 110.526 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -159.82 158.3 30.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -150.92 134.16 16.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.029 0.442 . . . . 1.0 110.541 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.5 m170 47.97 84.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.746 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -64.89 -44.09 90.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.507 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.973 -1.013 . . . . 1.0 110.589 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.107 -0.701 . . . . 1.0 109.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 77.4 t -63.64 -45.77 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.516 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.1 t70 46.79 74.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.839 0.352 . . . . 1.0 110.946 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' ASN . 96.2 mt-30 -51.38 -86.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.981 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' O ' ' O ' ' A' ' 6' ' ' PRO . 7.1 m120 51.08 103.45 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.966 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 53.9 Cg_exo -52.08 -158.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.899 1.733 . . . . 1.0 111.972 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' CB ' ' O ' ' A' ' 6' ' ' PRO . 55.1 tt0 92.6 -47.57 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.213 -0.929 . . . . 1.0 110.382 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' OE1' ' O ' ' A' ' 6' ' ' PRO . 31.6 mp0 -73.33 -29.21 62.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 1.0 110.652 179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -57.59 -17.86 16.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.935 0.398 . . . . 1.0 110.277 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' C ' ' N ' ' A' ' 12' ' ' GLU . 2.2 p90 -50.3 -15.96 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.432 0.634 . . . . 1.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -48.84 -20.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.486 -0.759 . . . . 1.0 110.531 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE1' ' NE2' ' A' ' 16' ' ' GLN . 14.0 tm-20 -60.86 -53.9 51.69 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.8 1.313 . . . . 1.0 111.112 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.5 -31.57 0.03 OUTLIER Glycine 0 N--CA 1.47 0.924 0 O-C-N 124.721 1.263 . . . . 1.0 110.823 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 12' ' ' GLU . 28.8 t -74.67 -54.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 122.489 -0.418 . . . . 1.0 110.755 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -42.31 -67.5 0.26 Allowed 'General case' 0 N--CA 1.467 0.384 0 O-C-N 122.401 -0.187 . . . . 1.0 110.509 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.481 ' NE2' ' OE1' ' A' ' 12' ' ' GLU . 2.8 pt20 -49.82 -52.34 33.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' H ' ' HG3' ' A' ' 16' ' ' GLN . 2.9 m-85 -53.51 -65.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 121.634 -0.666 . . . . 1.0 110.872 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.55 -70.69 0.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 110.032 -0.358 . . . . 1.0 110.032 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' GLN . . . -103.41 -120.99 0.19 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.447 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.82 -93.33 0.39 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.6 m120 54.47 38.49 29.77 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.624 -0.339 . . . . 1.0 110.221 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -64.86 -53.95 38.61 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 123.624 0.578 . . . . 1.0 110.435 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 m -66.52 -44.1 83.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.456 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.514 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 83.2 tt0 -63.46 -43.64 96.79 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.179 -0.325 . . . . 1.0 110.763 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -53.07 -24.93 11.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.936 0.398 . . . . 1.0 110.569 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -45.85 -28.72 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 121.983 -0.448 . . . . 1.0 110.188 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' OD1' ' O ' ' A' ' 24' ' ' GLU . 34.5 p-10 -68.28 -48.44 64.98 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 119.999 -0.68 . . . . 1.0 110.68 -179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASP . 4.4 mm? -54.54 -54.76 36.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.24 -0.891 . . . . 1.0 110.891 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -59.87 -45.43 92.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.335 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -53.55 -37.96 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.746 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -70.65 -44.42 67.16 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.8 58.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.908 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -57.69 -32.03 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 1.0 110.386 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.49 -32.68 71.72 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.081 -0.387 . . . . 1.0 110.593 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.91 -38.57 69.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.881 0.738 . . . . 1.0 110.52 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -163.05 96.85 1.07 Allowed Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.563 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -82.05 55.78 5.57 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 121.11 1.206 . . . . 1.0 112.11 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -130.88 -14.44 3.52 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 122.676 0.39 . . . . 1.0 110.311 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -80.96 93.25 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.019 0.438 . . . . 1.0 110.474 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -53.48 -38.42 63.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.572 -0.286 . . . . 1.0 110.715 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -50.65 -33.39 22.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.951 0.405 . . . . 1.0 110.208 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -78.12 -38.58 43.58 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 121.51 -0.743 . . . . 1.0 110.415 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.86 -36.44 70.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.224 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 tp -56.43 -40.55 74.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.328 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 75.9 mtp -62.83 -41.44 99.32 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.803 -0.759 . . . . 1.0 110.712 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -52.46 -48.7 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 124.939 1.399 . . . . 1.0 110.842 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.51 -48.65 48.48 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.044 -0.823 . . . . 1.0 111.044 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.39 -37.7 75.84 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.408 -0.517 . . . . 1.0 110.506 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -63.29 -51.23 66.92 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 120.306 -0.557 . . . . 1.0 110.687 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.89 -42.15 97.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.168 -0.924 . . . . 1.0 110.569 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -62.33 -49.61 74.93 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.516 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.58 -29.82 68.22 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.037 -0.265 . . . . 1.0 110.67 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 49' ' ' ALA . 7.4 mp -80.48 9.6 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.642 0.588 . . . . 1.0 110.618 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 58.2 mm-40 73.68 25.45 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.439 . . . . 1.0 110.529 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -108.16 65.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.197 0.522 . . . . 1.0 110.21 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -60.55 -38.26 83.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.215 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.43 -52.38 58.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.98 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 58' ' ' GLU . 58.2 mp0 -68.41 -38.54 81.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.384 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.07 -39.16 63.1 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.805 -0.358 . . . . 1.0 110.439 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.59 -33.41 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.021 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -56.27 -38.26 70.93 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 121.874 -0.516 . . . . 1.0 110.602 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 91.8 m -65.84 -51.17 61.11 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 123.478 0.486 . . . . 1.0 110.537 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.27 -44.83 96.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.509 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -60.7 -40.47 92.36 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.517 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 28.6 t80 -60.39 -45.77 92.36 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.443 1.089 . . . . 1.0 110.176 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.7 t -66.05 -44.29 92.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.455 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.5 mt -68.6 -38.54 79.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.163 0.506 . . . . 1.0 110.187 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -74.79 -69.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.17 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.763 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 88.1 t -48.97 -47.04 16.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 O-C-N 124.361 1.038 . . . . 1.0 110.659 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 72' ' ' ASP . 35.3 mt -105.24 117.04 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.778 0.799 . . . . 1.0 109.656 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -69.13 26.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.497 -0.752 . . . . 1.0 110.529 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' ILE . 5.9 t70 -52.4 -53.29 47.04 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.691 -0.631 . . . . 1.0 110.539 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 72' ' ' ASP . 68.3 tt0 30.45 49.51 0.07 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.327 0.584 . . . . 1.0 111.025 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 66.0 t80 -164.44 22.95 0.06 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.358 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -101.48 106.25 17.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 122.312 1.053 . . . . 1.0 109.776 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -61.74 -37.1 82.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.592 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.04 -45.61 91.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.991 -0.55 . . . . 1.0 110.659 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.69 -46.0 90.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.373 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.538 ' CD2' ' NH1' ' A' ' 102' ' ' ARG . 41.2 m0 -59.82 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.734 0.302 . . . . 1.0 110.23 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.15 87.56 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.201 -0.312 . . . . 1.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.18 -47.05 84.23 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.463 0.477 . . . . 1.0 110.805 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.07 -43.44 91.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.198 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.13 -51.55 52.43 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.857 -0.337 . . . . 1.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -50.58 -37.11 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.371 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.181 0.515 . . . . 1.0 110.689 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 86' ' ' LEU . 10.8 mp -72.89 -28.41 62.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.47 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -67.41 -13.62 62.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.945 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -139.19 60.75 1.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.809 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.0 tt -128.81 144.6 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-O 121.294 0.568 . . . . 1.0 110.448 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -69.76 91.71 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.165 0.507 . . . . 1.0 110.471 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 176.88 -153.2 13.36 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.714 -0.954 . . . . 1.0 110.714 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -72.81 152.42 41.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 1.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.94 -14.91 35.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.467 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.18 -35.72 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.325 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.93 -51.69 55.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 1.0 110.403 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.77 -25.39 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.703 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -67.09 -49.76 63.94 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.398 -0.521 . . . . 1.0 110.779 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.7 mp -58.39 -44.18 88.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.089 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.82 65.6 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.585 -0.446 . . . . 1.0 110.87 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 124.016 0.822 . . . . 1.0 110.457 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.86 -46.36 62.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.824 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.538 ' NH1' ' CD2' ' A' ' 79' ' ' TRP . 71.3 ttp85 -59.73 -41.35 90.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.832 0.349 . . . . 1.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.76 76.36 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.131 -0.355 . . . . 1.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -79.97 -47.79 14.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.016 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.49 ' CD2' ' H ' ' A' ' 106' ' ' GLU . 0.5 OUTLIER 51.74 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.33 -179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.49 ' H ' ' CD2' ' A' ' 105' ' ' LEU . 83.1 tt0 -63.59 132.97 52.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.072 0.463 . . . . 1.0 110.454 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 106' ' ' GLU . 5.4 m-70 -172.49 -63.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' HIS . 96.7 m-70 50.18 -97.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.68 0.276 . . . . 1.0 110.36 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.472 ' CD2' ' O ' ' A' ' 107' ' ' HIS . 81.3 m-70 44.69 -90.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.773 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' HIS . 5.5 p-80 -153.34 148.53 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.488 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -88.06 -11.83 46.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.895 -1.05 . . . . 1.0 110.618 179.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.079 -0.712 . . . . 1.0 109.079 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.8 p -74.85 140.27 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.577 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.24 105.9 9.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.229 0.538 . . . . 1.0 110.523 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -68.96 -32.43 72.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 1.0 109.998 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 7' ' ' GLU . 12.9 m120 -134.86 84.14 38.92 Favored Pre-proline 0 N--CA 1.468 0.468 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.744 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.12 43.43 0.14 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.328 2.019 . . . . 1.0 112.052 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 5' ' ' ASN . 78.2 tt0 -65.3 -20.89 66.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 121.227 -0.921 . . . . 1.0 110.346 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -71.75 -34.43 69.48 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.349 0.406 . . . . 1.0 110.754 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -57.62 -14.92 6.12 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.647 0.26 . . . . 1.0 110.386 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.6 p90 -54.54 -16.69 2.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.598 0.713 . . . . 1.0 110.245 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 pp -40.0 -22.78 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.347 -0.845 . . . . 1.0 111.112 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 10' ' ' TYR . 25.5 tp10 -53.9 -50.79 65.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.224 -1.353 . . . . 1.0 110.736 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -35.51 -41.7 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 O-C-N 124.704 1.253 . . . . 1.0 111.0 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.84 -55.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 O-C-N 122.559 -0.377 . . . . 1.0 110.527 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' ALA . 51.9 mt -42.87 -68.27 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -44.09 -53.91 5.99 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 120.78 -0.368 . . . . 1.0 110.214 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -50.97 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.679 -0.638 . . . . 1.0 111.239 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -77.67 -73.76 0.29 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.985 0.421 . . . . 1.0 110.645 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -74.29 102.95 4.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.506 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.02 58.43 0.79 Allowed Glycine 0 N--CA 1.459 0.175 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -113.0 60.95 0.64 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 122.639 -0.33 . . . . 1.0 110.376 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -45.9 -40.47 10.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.979 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 26' ' ' ILE . 17.3 m -56.58 -48.92 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.556 0.535 . . . . 1.0 110.216 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.15 -40.62 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.72 -0.392 . . . . 1.0 110.913 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.9 p -49.93 -33.43 17.42 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 120.509 -0.477 . . . . 1.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.6 mp -58.16 -40.81 78.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -61.04 -49.14 78.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.32 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.8 mm? -64.58 -46.17 83.89 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 124.104 0.878 . . . . 1.0 110.686 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.87 -45.64 89.68 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.073 -0.651 . . . . 1.0 110.297 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -51.76 -39.84 59.27 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.315 -0.554 . . . . 1.0 110.595 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.85 -43.79 78.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.86 -54.58 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.562 . . . . 1.0 110.925 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.414 HG12 ' CD1' ' A' ' 42' ' ' TYR . 50.7 mt -54.65 -35.81 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.06 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.18 -33.37 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.043 -0.411 . . . . 1.0 110.364 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 12.4 mt -65.1 -43.24 92.71 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.794 0.684 . . . . 1.0 110.677 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -170.72 93.56 0.46 Allowed Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -87.67 103.42 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 121.273 1.316 . . . . 1.0 111.827 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -165.59 45.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.14 -0.35 . . . . 1.0 110.195 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.562 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 0.8 OUTLIER -157.6 99.65 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.894 0.378 . . . . 1.0 110.412 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.2 t -48.52 -24.98 1.47 Allowed 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 122.361 -0.212 . . . . 1.0 110.737 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -50.87 -42.42 58.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.024 0.44 . . . . 1.0 110.372 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.574 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 2.3 p90 -81.73 -37.52 27.16 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.315 -0.865 . . . . 1.0 110.033 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -69.81 -33.5 72.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.065 -178.578 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 HD13 HG22 ' A' ' 78' ' ' VAL . 5.4 tp -65.16 -38.02 89.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.256 -0.884 . . . . 1.0 109.959 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 72.7 mtp -61.57 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 119.722 -0.791 . . . . 1.0 110.516 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -49.02 58.38 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 124.945 1.403 . . . . 1.0 111.049 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -51.66 -48.73 49.18 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -57.71 -39.32 76.96 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.171 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -51.04 68.62 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.751 -0.379 . . . . 1.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.08 -43.08 99.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.669 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -60.08 -50.11 75.0 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 120.471 -0.491 . . . . 1.0 110.445 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.52 -29.91 69.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.19 -0.319 . . . . 1.0 110.65 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 52.2 mt -76.25 3.73 10.21 Favored 'General case' 0 CA--C 1.516 -0.344 0 O-C-N 123.556 0.535 . . . . 1.0 110.761 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 35.4 tt0 79.93 26.01 0.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.797 0.439 . . . . 1.0 110.256 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -111.64 66.98 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.962 0.41 . . . . 1.0 110.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -58.31 -40.44 82.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.238 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -65.5 -50.84 63.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.786 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -66.01 -40.78 91.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.543 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.92 -37.24 63.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.5 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.01 -31.12 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.05 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.77 -37.01 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.697 -0.627 . . . . 1.0 110.325 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 77.3 m -66.31 -51.71 54.57 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.634 -0.427 . . . . 1.0 110.499 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.07 -43.65 97.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -59.86 -41.18 90.9 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.447 -0.501 . . . . 1.0 110.621 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.836 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 40.7 t80 -59.18 -41.58 88.79 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 124.452 1.095 . . . . 1.0 110.084 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' A' ' 70' ' ' ILE . 76.2 t -68.8 -45.64 80.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.68 -0.408 . . . . 1.0 110.649 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.2 mt -65.75 -39.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.107 0.48 . . . . 1.0 109.994 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -74.48 -65.06 0.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.609 -0.269 . . . . 1.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.836 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 93.2 t -55.28 -46.23 78.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 O-C-N 124.344 1.028 . . . . 1.0 110.268 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 72' ' ' ASP . 45.6 mt -112.88 127.87 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.713 0.768 . . . . 1.0 109.808 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -77.58 18.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 O-C-N 121.512 -0.743 . . . . 1.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.48 ' H ' HG22 ' A' ' 70' ' ' ILE . 86.3 m-20 -78.48 40.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.769 -0.582 . . . . 1.0 110.27 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' ' NE1' ' A' ' 79' ' ' TRP . 15.7 pt-20 -58.68 -24.46 61.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.715 -0.221 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -54.44 -29.59 49.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.222 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -46.51 106.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.065 0.936 . . . . 1.0 110.54 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -65.41 -33.65 76.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.719 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -60.76 -43.72 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.683 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG22 HD13 ' A' ' 44' ' ' LEU . 76.8 t -65.06 -44.95 95.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.367 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.52 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 45.2 m95 -64.85 -49.88 68.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.38 83.39 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 122.225 -0.297 . . . . 1.0 110.762 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.78 -46.65 87.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.786 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -59.63 -36.17 75.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.37 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.87 -50.24 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.979 -0.288 . . . . 1.0 110.635 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -51.06 -41.22 59.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.31 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.21 85.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.03 0.443 . . . . 1.0 110.655 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.0 -32.12 70.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.92 -38.58 76.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.966 -179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -112.01 75.18 0.9 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.193 0.521 . . . . 1.0 110.491 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.417 ' CG1' ' N ' ' A' ' 90' ' ' GLU . 14.4 tt -129.22 168.49 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 C-N-CA 123.19 0.596 . . . . 1.0 110.759 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' ' CG1' ' A' ' 89' ' ' ILE . 68.7 mm-40 -44.75 -51.12 9.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.67 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.84 115.27 0.97 Allowed Glycine 0 N--CA 1.465 0.597 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 94' ' ' VAL . 25.2 pttm -76.74 -42.49 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.711 0.291 . . . . 1.0 110.495 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 48.44 -91.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.368 0.604 . . . . 1.0 110.583 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' O ' HG12 ' A' ' 94' ' ' VAL . 45.6 t -135.28 -11.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.2 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -58.43 -52.33 66.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.318 . . . . 1.0 110.395 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.07 79.3 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.99 -0.284 . . . . 1.0 110.895 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.12 -51.99 66.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.441 -0.504 . . . . 1.0 110.786 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 90.9 mt -58.88 -40.74 80.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.76 -53.77 51.5 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.591 -0.443 . . . . 1.0 111.019 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -54.82 -43.51 73.03 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 124.007 0.817 . . . . 1.0 110.545 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.21 -48.63 64.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.717 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -57.78 -40.76 80.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.39 . . . . 1.0 110.664 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.92 83.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.0 111.038 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -89.4 12.76 15.4 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.615 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 106' ' ' GLU . 1.8 tt -90.0 113.09 24.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.38 0.609 . . . . 1.0 109.783 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.511 ' N ' HD23 ' A' ' 105' ' ' LEU . 98.5 mt-10 -102.83 159.18 15.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.272 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' CE1' HD22 ' A' ' 105' ' ' LEU . 17.1 m80 -140.96 27.32 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.888 0.375 . . . . 1.0 110.162 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -166.94 125.34 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.416 ' H ' ' H ' ' A' ' 110' ' ' HIS . 0.3 OUTLIER -179.3 5.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.484 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.416 ' H ' ' H ' ' A' ' 109' ' ' HIS . 44.6 t-80 -77.89 43.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.385 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.534 ' ND1' ' N ' ' A' ' 112' ' ' HIS . 61.6 t-80 55.55 164.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.598 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.534 ' N ' ' ND1' ' A' ' 111' ' ' HIS . 98.4 m-70 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.572 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 mtt . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.192 -0.67 . . . . 1.0 109.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 2' ' ' VAL . 13.8 m -81.72 135.45 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.234 0.54 . . . . 1.0 110.34 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' H ' ' H ' ' A' ' 4' ' ' GLN . 46.1 t0 -172.39 4.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.045 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.401 ' H ' ' H ' ' A' ' 3' ' ' ASP . 95.0 mm-40 -75.61 9.15 2.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.181 0.515 . . . . 1.0 110.131 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -163.96 135.8 3.72 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.77 -0.65 . . . . 1.0 111.5 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.95 69.28 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 121.507 1.471 . . . . 1.0 111.875 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -87.93 -45.39 10.29 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 121.166 -0.959 . . . . 1.0 109.989 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.796 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 15.1 pt-20 -54.94 -27.83 46.46 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 123.374 0.421 . . . . 1.0 110.559 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' LEU . 38.5 m-85 -48.48 -7.49 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.062 0 O-C-N 122.276 -0.265 . . . . 1.0 111.227 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.796 ' CD1' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -54.56 72.63 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 O-C-N 121.71 -0.619 . . . . 1.0 111.73 179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 9' ' ' TYR . 3.5 pp -126.64 -37.89 2.12 Favored 'General case' 0 CA--C 1.482 -1.641 0 CA-C-O 122.871 1.32 . . . . 1.0 111.393 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 13' ' ' GLY . 58.2 mp0 -51.36 -48.61 62.44 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 112.222 -2.263 . . . . 1.0 109.937 -175.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -30.71 -56.93 0.25 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.714 1.259 . . . . 1.0 111.197 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.8 -54.74 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 117.147 0.474 . . . . 1.0 110.595 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 ' O ' ' O ' ' A' ' 19' ' ' ALA . 21.0 mt -43.44 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.442 -0.162 . . . . 1.0 110.814 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -43.38 -60.17 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.397 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -44.22 -62.57 1.11 Allowed 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.588 -0.695 . . . . 1.0 110.823 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -69.08 -80.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.378 0.424 . . . . 1.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.588 ' O ' ' O ' ' A' ' 15' ' ' LEU . . . -104.48 131.72 51.54 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.428 0.632 . . . . 1.0 110.623 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ALA . . . -33.08 -71.12 0.11 Allowed Glycine 0 N--CA 1.473 1.114 0 O-C-N 121.843 -0.536 . . . . 1.0 112.129 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 49.94 32.68 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.571 -0.37 . . . . 1.0 110.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.26 -50.49 71.53 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.132 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 26' ' ' ILE . 19.0 m -65.67 -47.2 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.508 -0.769 . . . . 1.0 110.278 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -55.94 -36.13 67.44 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.245 -0.284 . . . . 1.0 110.737 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.6 p -63.87 -24.37 67.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 1.0 110.504 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 23' ' ' THR . 1.8 tp -57.94 -35.52 52.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 121.606 0.717 . . . . 1.0 110.495 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -65.99 -34.97 79.32 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.05 -179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.0 mm? -73.1 -47.62 42.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.88 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -60.56 -43.08 97.67 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.364 -0.534 . . . . 1.0 110.197 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -55.39 -36.83 66.83 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.603 -0.439 . . . . 1.0 110.659 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -71.92 -41.03 68.37 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.986 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.7 73.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.319 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.0 mt -66.28 -28.81 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.453 0.644 . . . . 1.0 110.274 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.98 -33.76 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 122.119 -0.363 . . . . 1.0 110.473 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.61 -47.76 68.74 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.799 0.687 . . . . 1.0 110.579 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -175.13 113.16 0.28 Allowed Pre-proline 0 CA--C 1.551 1.005 0 CA-C-O 118.621 -0.704 . . . . 1.0 110.634 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 38' ' ' GLU . 58.6 Cg_endo -83.38 -145.41 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.814 0 C-N-CA 121.088 1.192 . . . . 1.0 111.898 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 43.0 tt0 78.43 32.31 0.33 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.16 0.505 . . . . 1.0 110.714 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.61 ' O ' ' CD2' ' A' ' 42' ' ' TYR . 21.2 mt-10 -148.18 90.07 1.78 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.5 m -49.07 -28.38 4.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.638 0.733 . . . . 1.0 111.141 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.48 -39.56 16.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.968 -179.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 39' ' ' GLU . 2.1 p90 -78.2 -32.59 50.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.935 0.874 . . . . 1.0 110.211 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.589 ' CD1' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.48 -41.04 66.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.085 -0.961 . . . . 1.0 109.932 -177.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.12 -43.37 74.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.281 -0.872 . . . . 1.0 109.762 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.3 mtt -64.14 -46.31 84.67 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 120.179 -0.608 . . . . 1.0 110.779 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -52.6 -49.77 64.38 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.882 1.364 . . . . 1.0 110.297 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.01 -48.0 53.05 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.38 -34.44 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.865 -0.334 . . . . 1.0 110.676 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.49 67.73 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.431 -0.508 . . . . 1.0 110.742 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD12 ' OE1' ' A' ' 58' ' ' GLU . 4.5 mm? -59.59 -38.91 82.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.383 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -64.14 -49.36 72.45 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 120.139 -0.625 . . . . 1.0 110.578 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -58.86 -30.5 67.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.781 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 50.9 mt -79.67 11.65 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.551 0.532 . . . . 1.0 110.776 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 71.06 27.68 3.27 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.844 0.458 . . . . 1.0 110.546 179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -111.56 64.49 0.62 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.441 0.639 . . . . 1.0 110.215 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -56.21 -38.67 71.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.119 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.81 -51.05 64.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.993 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.552 ' OE1' HD12 ' A' ' 50' ' ' LEU . 83.9 mt-10 -65.34 -39.33 92.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.38 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.92 88.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.375 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG12 ' ND2' ' A' ' 64' ' ' ASN . 24.6 t -59.57 -41.67 85.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.927 -0.397 . . . . 1.0 109.927 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -57.47 -35.49 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.77 -0.581 . . . . 1.0 110.585 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.7 m -68.32 -53.42 24.31 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.4 0.438 . . . . 1.0 110.384 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -57.54 -42.86 83.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.18 -0.608 . . . . 1.0 110.646 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.418 ' ND2' HG12 ' A' ' 60' ' ' VAL . 98.4 m-20 -60.03 -34.98 74.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.487 -0.485 . . . . 1.0 110.291 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 45.4 t80 -58.48 -42.72 88.19 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.33 1.019 . . . . 1.0 109.839 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.8 t -68.66 -43.9 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 123.318 0.386 . . . . 1.0 110.729 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.59 -41.3 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.214 0.531 . . . . 1.0 110.246 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -74.63 -70.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.418 -0.356 . . . . 1.0 111.211 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.843 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 95.4 t -47.81 -48.19 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 124.31 1.006 . . . . 1.0 110.739 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.604 ' C ' ' H ' ' A' ' 72' ' ' ASP . 76.7 mt -107.06 128.85 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.751 0.786 . . . . 1.0 109.727 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -64.36 25.95 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.451 -0.78 . . . . 1.0 110.989 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.604 ' H ' ' C ' ' A' ' 70' ' ' ILE . 66.2 t0 -46.33 -83.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.776 -0.578 . . . . 1.0 110.564 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 38.49 39.29 0.3 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.991 0.424 . . . . 1.0 110.68 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -146.74 -45.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.573 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -43.8 117.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.456 1.122 . . . . 1.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.23 -25.93 65.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.667 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -69.13 -46.67 67.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.676 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.46 -48.53 84.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.305 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -61.77 -49.61 75.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.764 0.316 . . . . 1.0 110.204 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.01 83.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.208 -0.307 . . . . 1.0 110.543 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -45.93 81.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -60.02 -41.04 91.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.509 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.13 -51.88 60.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.583 -0.28 . . . . 1.0 110.573 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -48.39 -42.32 31.52 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.349 0.406 . . . . 1.0 110.342 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.22 94.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.941 0.4 . . . . 1.0 110.555 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.1 mt -76.08 -24.06 55.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -64.28 -17.78 63.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.628 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -141.72 72.0 1.37 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.2 tt -129.43 158.32 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.137 0.494 . . . . 1.0 110.444 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -56.01 139.72 45.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.333 0.587 . . . . 1.0 110.412 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.68 148.03 0.84 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.685 -0.966 . . . . 1.0 110.685 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -119.46 96.29 5.14 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.442 0.639 . . . . 1.0 109.849 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 95' ' ' GLU . 96.9 mt-10 -118.52 51.26 1.11 Allowed 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.112 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' GLU . 26.9 m 34.82 30.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 115.888 -0.597 . . . . 1.0 111.351 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 93' ' ' GLU . 39.5 tp10 -70.23 -48.61 56.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.567 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -51.91 -22.87 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -68.99 -49.14 60.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.623 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.7 mp -57.81 -45.86 87.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.674 -0.491 . . . . 1.0 109.674 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.58 -49.25 66.99 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.62 -0.432 . . . . 1.0 110.893 -179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -53.92 -45.65 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 124.001 0.813 . . . . 1.0 110.457 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.98 69.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 1.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -60.68 -43.92 97.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.655 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.83 -38.25 73.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 1.0 110.93 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -95.69 17.38 15.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.526 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.434 HD13 ' N ' ' A' ' 106' ' ' GLU . 0.3 OUTLIER -63.18 110.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 1.0 109.936 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.434 ' N ' HD13 ' A' ' 105' ' ' LEU . 95.4 mt-10 -78.8 -80.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.452 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -160.37 -21.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 1.0 110.303 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -73.27 110.55 7.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.971 0.415 . . . . 1.0 110.162 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -66.67 -39.95 88.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -64.19 135.79 56.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.536 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -75.74 148.35 38.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.63 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 C--O 1.219 -0.548 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.657 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 53.8 t -86.49 129.67 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.443 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.1 t0 52.92 48.84 21.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.057 0.456 . . . . 1.0 110.678 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -155.11 -25.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.983 -0.553 . . . . 1.0 109.938 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -37.8 104.22 0.28 Allowed Pre-proline 0 CA--C 1.541 0.621 0 CA-C-O 118.91 -0.567 . . . . 1.0 111.973 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.59 14.16 1.49 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 121.743 1.628 . . . . 1.0 112.227 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 76.4 mm-40 -66.68 -17.41 64.83 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 121.181 -0.949 . . . . 1.0 110.621 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -70.15 -37.05 75.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.072 0.463 . . . . 1.0 110.409 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.68 -24.43 66.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 1.0 110.586 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -49.45 -16.75 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.584 -0.697 . . . . 1.0 110.434 179.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.2 pp -41.2 -23.03 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.441 -0.787 . . . . 1.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -58.35 -49.8 75.91 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 124.81 1.319 . . . . 1.0 110.668 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -37.4 -40.32 0.62 Allowed Glycine 0 CA--C 1.528 0.87 0 O-C-N 124.766 1.291 . . . . 1.0 110.925 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.85 -57.99 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.681 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' ALA . 22.7 mt -43.31 -64.09 0.7 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.371 -0.233 . . . . 1.0 110.371 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 19' ' ' ALA . 76.4 mt-30 -50.3 -55.12 16.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.085 -0.246 . . . . 1.0 110.503 179.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -46.44 -60.23 2.47 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.615 -0.678 . . . . 1.0 110.831 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.62 -65.71 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.975 0.416 . . . . 1.0 110.628 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -98.91 -131.07 0.22 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.588 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.15 -94.17 0.92 Allowed Glycine 0 N--CA 1.475 1.244 0 N-CA-C 111.148 -0.781 . . . . 1.0 111.148 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.7 m120 55.94 34.84 24.39 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 122.625 -0.338 . . . . 1.0 110.172 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' O ' ' OG ' ' A' ' 25' ' ' SER . 97.0 m-85 -63.1 -52.19 63.63 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.629 0.581 . . . . 1.0 110.18 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 m -64.93 -42.77 94.4 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.7 0.625 . . . . 1.0 110.549 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.44 -43.57 98.49 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.107 -0.371 . . . . 1.0 111.007 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 41.5 p -53.4 -26.99 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.013 0.435 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.5 mt -55.25 -36.19 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.728 -0.471 . . . . 1.0 109.728 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.96 -52.98 36.12 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.102 -0.639 . . . . 1.0 110.802 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 3.7 mm? -59.47 -49.42 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.471 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.64 -45.47 92.7 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 120.411 -0.515 . . . . 1.0 110.272 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -46.48 -36.32 6.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.645 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.4 -35.84 81.34 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.373 0.42 . . . . 1.0 110.474 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.54 -50.93 61.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.923 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.22 -40.03 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.845 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -65.27 -37.46 87.27 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.097 -0.377 . . . . 1.0 110.574 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.41 -38.62 68.36 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.789 0.68 . . . . 1.0 110.662 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -152.53 89.25 3.86 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.041 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -85.06 -9.0 8.82 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 121.415 1.41 . . . . 1.0 112.054 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.09 -7.81 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.946 0.403 . . . . 1.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' OE1' ' CZ ' ' A' ' 42' ' ' TYR . 96.6 mt-10 -86.19 112.08 21.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 1.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.1 t -64.72 -45.69 85.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.97 0.414 . . . . 1.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -51.57 -32.62 29.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.283 0.563 . . . . 1.0 110.39 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' CZ ' ' OE1' ' A' ' 39' ' ' GLU . 3.0 m-85 -71.13 -36.6 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 121.479 -0.763 . . . . 1.0 110.33 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m95 -72.17 -32.67 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.305 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 tp -52.71 -43.36 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.599 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 9.3 tpt -61.18 -43.55 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 119.845 -0.742 . . . . 1.0 110.466 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -50.92 -48.28 60.73 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.949 1.406 . . . . 1.0 110.534 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.34 -49.98 54.42 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.17 -40.03 80.4 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.997 -0.281 . . . . 1.0 110.26 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -51.49 65.92 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.037 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.1 mt -60.45 -41.05 93.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.331 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.3 t80 -63.86 -49.01 74.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.287 0.565 . . . . 1.0 110.661 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -60.9 -30.67 70.31 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.191 -0.318 . . . . 1.0 110.836 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -77.94 7.66 5.71 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.598 0.561 . . . . 1.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 72.55 26.18 2.55 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.803 0.441 . . . . 1.0 110.482 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -108.77 68.95 0.7 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.29 0.567 . . . . 1.0 110.199 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 88' ' ' TYR . 5.5 m-85 -57.71 -40.22 79.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.684 -0.689 . . . . 1.0 110.01 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.21 -50.18 72.82 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.822 -0.627 . . . . 1.0 110.772 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.8 -38.37 88.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.392 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.12 -48.17 82.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.702 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.3 t -59.26 -41.99 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.799 -0.445 . . . . 1.0 109.799 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -57.68 -36.97 72.63 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.693 -0.629 . . . . 1.0 110.545 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.72 -46.21 59.34 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.421 0.451 . . . . 1.0 110.373 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -60.28 -47.72 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.441 . . . . 1.0 110.157 179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.7 t30 -62.24 -34.24 76.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.278 -179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.767 ' O ' HG12 ' A' ' 69' ' ' VAL . 86.4 t80 -63.47 -47.08 83.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.351 1.032 . . . . 1.0 109.986 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.63 -31.4 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.523 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 63' ' ' TYR . 7.0 mt -89.33 -26.0 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.697 0.284 . . . . 1.0 110.482 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -73.6 -79.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.334 -0.228 . . . . 1.0 111.036 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 65' ' ' TYR . 2.6 p -48.81 -41.47 12.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 O-C-N 124.317 1.011 . . . . 1.0 110.597 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.561 HG13 HG13 ' A' ' 69' ' ' VAL . 54.4 mt -112.28 130.17 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 122.0 0.905 . . . . 1.0 109.547 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -78.7 22.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.38 0 O-C-N 121.519 -0.738 . . . . 1.0 110.326 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 70' ' ' ILE . 64.8 t0 -83.85 78.04 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 121.78 -0.575 . . . . 1.0 110.33 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -101.05 -4.51 27.27 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.883 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.508 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 69.2 t80 -80.11 25.03 0.39 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -101.71 105.04 15.88 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 122.522 1.153 . . . . 1.0 110.089 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -60.58 -40.9 93.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.363 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.61 -44.31 96.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.481 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.76 -50.51 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.402 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -60.2 -47.59 85.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.66 0.267 . . . . 1.0 110.319 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.14 96.07 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.246 -0.284 . . . . 1.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.86 73.93 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.447 0.467 . . . . 1.0 110.606 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -55.63 -38.21 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.413 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.86 -51.16 58.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.521 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -51.24 -41.95 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.79 88.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.973 0.416 . . . . 1.0 110.655 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.8 mt -72.54 -32.94 66.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.668 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -62.89 -15.99 57.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.926 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.456 ' O ' ' CE1' ' A' ' 56' ' ' TYR . 95.7 m-85 -137.76 59.49 1.66 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 121.253 0.549 . . . . 1.0 110.789 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.2 tt -128.75 144.89 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 121.209 0.528 . . . . 1.0 110.44 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.92 139.81 56.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 1.0 110.601 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.13 60.33 2.56 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -71.29 131.41 43.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.108 0.48 . . . . 1.0 110.198 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -139.05 -89.11 0.21 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.444 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 28.7 m -138.21 4.69 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.491 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.63 -52.11 65.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 1.0 110.488 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.92 80.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.603 -0.271 . . . . 1.0 110.756 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -66.76 -50.95 61.07 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.737 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.89 -43.46 97.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.971 -0.381 . . . . 1.0 109.971 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.9 -53.28 52.86 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.525 -0.47 . . . . 1.0 111.174 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -57.8 -42.02 83.37 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.955 0.784 . . . . 1.0 110.488 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.29 -48.72 32.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.41 -38.78 88.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.83 83.95 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.244 -0.285 . . . . 1.0 110.741 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 106' ' ' GLU . 19.7 mmtp -62.71 -38.33 90.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.666 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.5 tt -48.07 92.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.268 0.556 . . . . 1.0 110.068 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 104' ' ' LYS . 81.1 tt0 -106.78 -77.78 0.59 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.328 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -76.88 157.07 31.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 110.29 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -151.93 -67.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.158 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 111' ' ' HIS . 47.2 m170 49.54 -99.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.603 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 54.44 -83.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.542 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' HIS . 59.3 t-80 54.78 106.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.634 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 78.2 m80 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.036 -0.983 . . . . 1.0 110.631 -179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.3 mpt? . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.306 -0.627 . . . . 1.0 109.306 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 3' ' ' ASP . 27.4 m -63.31 -40.14 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.601 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 2' ' ' VAL . 89.6 m-20 52.87 79.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.813 0.34 . . . . 1.0 110.619 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -69.11 132.05 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.142 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -64.39 147.34 97.35 Favored Pre-proline 0 CA--C 1.539 0.547 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.645 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.29 -93.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 121.878 1.719 . . . . 1.0 112.007 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 71.39 -48.12 0.67 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.189 -0.945 . . . . 1.0 110.457 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 10' ' ' TYR . 96.4 mt-10 -76.56 -35.92 57.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.323 0.582 . . . . 1.0 110.715 179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -55.46 -4.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.0 110.36 179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' C ' ' H ' ' A' ' 12' ' ' GLU . 1.5 p90 -70.19 -10.05 57.65 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 122.114 0.959 . . . . 1.0 111.228 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -50.55 -13.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 121.353 -0.842 . . . . 1.0 109.946 179.221 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.943 ' N ' HD13 ' A' ' 11' ' ' LEU . 69.3 tt0 -62.5 -52.44 63.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 124.737 1.273 . . . . 1.0 110.399 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -35.46 -29.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.788 1.305 . . . . 1.0 111.374 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.8 t -80.37 -52.72 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 O-C-N 122.456 -0.437 . . . . 1.0 110.499 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 19' ' ' ALA . 97.3 mt -44.63 -66.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.416 -0.178 . . . . 1.0 110.61 -179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.604 HE22 ' CG ' ' A' ' 45' ' ' MET . 77.9 mt-30 -46.48 -53.79 10.51 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.99 0.424 . . . . 1.0 110.221 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.72 -61.22 2.42 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.63 -0.669 . . . . 1.0 110.803 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.85 -75.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.331 0.395 . . . . 1.0 110.347 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.05 114.71 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.431 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.83 56.55 4.26 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.119 -0.793 . . . . 1.0 111.119 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 25.3 p30 -122.44 56.58 1.11 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.826 0.346 . . . . 1.0 110.653 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -43.38 -38.75 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.237 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.1 t -57.57 -51.16 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.584 0.552 . . . . 1.0 110.538 179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.612 ' N ' HG23 ' A' ' 23' ' ' THR . 88.7 mt-10 -53.67 -43.77 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.172 -0.33 . . . . 1.0 110.749 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 9.7 p -46.24 -24.3 0.45 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.617 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -57.11 -42.4 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -57.96 -51.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.384 -0.526 . . . . 1.0 110.414 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.48 -44.57 96.06 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.146 0.904 . . . . 1.0 110.781 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' CE1' ' NZ ' ' A' ' 46' ' ' LYS . 28.3 t80 -58.86 -49.69 76.79 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.68 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -53.08 -37.52 61.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.394 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -69.5 -47.55 63.48 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.563 -0.455 . . . . 1.0 111.095 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.73 -54.69 41.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.666 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.6 mp -59.11 -43.32 89.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.062 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -50.82 -33.31 23.07 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.118 -0.364 . . . . 1.0 110.302 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 76.5 mt -73.43 -39.69 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.553 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 21.7 p-10 -173.46 115.3 0.35 Allowed Pre-proline 0 CA--C 1.546 0.818 0 CA-C-O 118.529 -0.748 . . . . 1.0 110.923 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -84.24 24.61 0.74 Allowed 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 120.876 1.051 . . . . 1.0 112.245 179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -89.31 -6.39 56.75 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 122.089 -0.382 . . . . 1.0 110.699 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.469 ' OE2' ' CD2' ' A' ' 42' ' ' TYR . 4.2 pt-20 -91.68 99.4 12.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 1.0 110.38 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 43' ' ' TRP . 65.9 p -66.55 -45.19 80.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.359 . . . . 1.0 110.913 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -47.51 -28.41 2.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.025 0.441 . . . . 1.0 110.111 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.469 ' CD2' ' OE2' ' A' ' 39' ' ' GLU . 8.6 m-85 -78.3 -32.54 49.44 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.406 -0.808 . . . . 1.0 110.239 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.409 ' N ' ' O ' ' A' ' 40' ' ' SER . 62.5 m95 -73.7 -36.57 65.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.335 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.0 tp -56.87 -39.08 73.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.52 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.604 ' CG ' HE22 ' A' ' 16' ' ' GLN . 60.4 tpp -67.41 -39.22 85.5 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.859 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CE1' ' A' ' 29' ' ' PHE . 21.3 tptm -58.35 -47.03 85.08 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.917 1.386 . . . . 1.0 110.761 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 -48.13 73.83 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.034 -0.826 . . . . 1.0 111.034 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.67 -33.84 73.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 1.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.628 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -67.47 -50.13 60.47 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.757 -0.377 . . . . 1.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 51.8 mt -64.57 -45.89 85.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.284 -0.871 . . . . 1.0 110.601 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -56.22 -50.6 70.82 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.413 -0.515 . . . . 1.0 110.465 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -62.35 -26.17 68.3 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 122.239 -0.288 . . . . 1.0 110.567 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.6 mp -79.67 13.11 2.22 Favored 'General case' 0 CA--C 1.508 -0.651 0 O-C-N 123.628 0.58 . . . . 1.0 110.3 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.42 5.63 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 123.395 0.678 . . . . 1.0 110.438 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.477 HH11 ' HB3' ' A' ' 53' ' ' LEU . 60.8 mtt85 -92.61 61.9 3.76 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.361 0.601 . . . . 1.0 109.897 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -55.89 -39.35 71.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.327 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 14.0 pt-20 -66.66 -51.18 59.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 15.8 tt0 -63.07 -42.31 99.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.264 -179.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.46 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.327 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG13 ' HZ1' ' A' ' 82' ' ' LYS . 14.0 t -58.64 -35.52 55.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.991 -0.374 . . . . 1.0 109.991 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -58.8 -38.55 78.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 121.868 -0.52 . . . . 1.0 110.672 -179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.6 m -66.4 -52.0 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.473 0.483 . . . . 1.0 110.316 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -59.56 -43.43 93.59 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.427 -0.509 . . . . 1.0 110.505 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 68' ' ' ASN . 7.0 m120 -62.87 -38.49 91.06 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.5 -0.48 . . . . 1.0 110.375 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.444 ' O ' HG12 ' A' ' 69' ' ' VAL . 69.3 t80 -58.58 -45.07 89.84 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.346 1.029 . . . . 1.0 109.811 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 80.1 t -66.76 -42.41 89.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 O-C-N 123.287 0.367 . . . . 1.0 110.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.0 mt -74.26 -23.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.38 0.609 . . . . 1.0 110.375 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 64' ' ' ASN . 49.3 t30 -84.73 -74.99 0.37 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.334 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' CG1' ' N ' ' A' ' 70' ' ' ILE . 1.6 p -50.59 -43.71 23.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 124.367 1.042 . . . . 1.0 110.469 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.686 HG22 ' H ' ' A' ' 72' ' ' ASP . 5.4 mt -102.38 132.5 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 122.584 1.183 . . . . 1.0 109.331 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -95.26 27.03 3.45 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 121.463 -0.773 . . . . 1.0 110.587 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.686 ' H ' HG22 ' A' ' 70' ' ' ILE . 81.6 m-20 -82.82 43.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 O-C-N 121.679 -0.638 . . . . 1.0 110.076 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.53 73.7 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.01 0.433 . . . . 1.0 110.704 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.567 ' N ' ' O ' ' A' ' 72' ' ' ASP . 65.8 t80 -166.89 30.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.541 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -106.72 106.71 17.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 122.355 1.074 . . . . 1.0 110.076 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 46.8 mtmt -64.07 -38.73 92.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.434 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -62.52 -43.28 99.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.561 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.7 t -66.56 -47.31 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 23.7 m0 -58.6 -44.02 89.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.959 0.409 . . . . 1.0 110.309 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.19 -38.07 87.71 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.161 -0.337 . . . . 1.0 110.631 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.95 -46.24 78.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.785 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.557 ' HZ1' HG13 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -61.45 -45.06 95.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.167 -179.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -56.22 -47.79 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.383 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -52.47 -41.68 63.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.168 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.73 -38.06 89.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.848 0.356 . . . . 1.0 110.492 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 89' ' ' ILE . 90.4 mt -72.97 -29.21 62.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.626 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -66.76 -17.16 64.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.028 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -129.15 53.22 1.9 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 91' ' ' GLY . 17.5 tt -126.8 132.67 69.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.104 0.478 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 56.98 -81.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 1.0 110.446 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -145.16 -89.97 0.1 Allowed Glycine 0 N--CA 1.464 0.522 0 N-CA-C 110.606 -0.998 . . . . 1.0 110.606 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -162.63 73.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 1.0 110.445 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' OE1' ' N ' ' A' ' 93' ' ' GLU . 43.7 mp0 -84.26 163.51 19.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.276 0.56 . . . . 1.0 110.753 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 94' ' ' VAL . 11.9 p -59.57 -10.33 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.05 -49.78 75.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.438 . . . . 1.0 110.432 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -35.48 60.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.772 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -70.24 -44.87 67.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.942 0.401 . . . . 1.0 110.668 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 96.1 mt -58.54 -44.91 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.08 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.11 79.84 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.941 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -53.88 -45.79 71.17 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.937 0.773 . . . . 1.0 110.421 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.71 95.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.775 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -62.88 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.03 0.443 . . . . 1.0 110.922 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -74.37 -28.07 60.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 1.0 110.878 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.4 tttm -95.9 -0.98 50.23 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.487 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.2 tt -56.36 105.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.308 0.575 . . . . 1.0 109.708 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -98.0 142.5 29.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.154 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -84.3 168.31 15.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.922 0.391 . . . . 1.0 110.118 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -65.72 144.19 57.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 1.0 110.062 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -124.03 133.45 53.65 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.392 0.615 . . . . 1.0 110.656 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 48.8 p-80 -149.76 146.39 27.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.446 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -86.88 156.29 19.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.619 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.414 ' OXT' ' CG ' ' A' ' 112' ' ' HIS . 84.7 t60 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.506 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.529 ' SD ' ' N ' ' A' ' 1' ' ' MET . 4.4 mpp? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.179 -0.674 . . . . 1.0 109.179 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.89 -44.44 96.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.412 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.5 p-10 -147.9 -142.47 0.13 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.903 0.382 . . . . 1.0 110.586 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.527 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 3.6 mp0 -62.48 -39.09 92.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.923 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' GLU . 4.7 t-20 52.02 79.89 0.32 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.203 179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.14 34.67 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.373 2.048 . . . . 1.0 111.799 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' ASN . 81.7 tt0 -58.55 -18.08 26.75 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.193 -0.942 . . . . 1.0 110.721 -179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.76 -37.61 59.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.409 0.623 . . . . 1.0 110.701 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -52.41 -16.6 0.91 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.432 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -56.68 -12.16 1.71 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.676 -0.64 . . . . 1.0 110.13 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 pp -43.93 -21.99 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 121.357 -0.839 . . . . 1.0 110.801 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' OE2' ' CE1' ' A' ' 29' ' ' PHE . 19.2 pt-20 -54.41 -49.46 69.89 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.857 1.348 . . . . 1.0 110.479 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -36.08 -37.54 0.18 Allowed Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.717 1.26 . . . . 1.0 110.986 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.7 t -74.35 -54.41 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 122.497 -0.413 . . . . 1.0 110.631 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 19' ' ' ALA . 69.0 mt -43.51 -63.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.439 -0.163 . . . . 1.0 110.608 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' NE2' ' CE2' ' A' ' 22' ' ' TYR . 60.4 tp60 -47.24 -54.83 9.88 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.498 -0.481 . . . . 1.0 110.316 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -50.39 -61.33 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 121.591 -0.693 . . . . 1.0 111.052 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -76.3 -72.43 0.33 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.493 0.663 . . . . 1.0 110.658 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -88.45 86.72 7.09 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.563 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.23 80.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.482 -0.647 . . . . 1.0 111.482 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 19' ' ' ALA . 1.3 m-20 -127.43 58.87 1.45 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 120.805 0.336 . . . . 1.0 110.448 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CE2' ' NE2' ' A' ' 16' ' ' GLN . 26.6 m-85 -42.54 -39.51 2.32 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.326 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 24' ' ' GLU . 9.0 t -59.83 -48.84 80.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.427 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.57 ' N ' HG23 ' A' ' 23' ' ' THR . 48.9 tp10 -56.54 -46.31 80.71 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.668 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.5 m -50.9 -26.78 6.31 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.656 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' THR . 1.6 tp -57.99 -44.53 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-O 121.297 0.57 . . . . 1.0 110.024 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 92.1 m-20 -55.1 -44.84 75.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.313 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.493 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -67.6 -43.56 80.18 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 124.158 0.911 . . . . 1.0 110.563 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' CE1' ' OE2' ' A' ' 12' ' ' GLU . 37.6 m-85 -59.33 -48.55 81.19 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.046 -0.661 . . . . 1.0 110.384 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -55.35 -40.73 71.6 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.593 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -63.02 -46.01 89.64 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.163 -0.615 . . . . 1.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -51.42 69.73 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.515 -0.474 . . . . 1.0 110.701 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.62 -48.16 89.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 O-C-N 123.675 0.609 . . . . 1.0 109.896 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -56.17 -38.33 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 122.085 -0.384 . . . . 1.0 110.531 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.1 mt -66.27 -47.12 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.873 0.733 . . . . 1.0 110.599 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -170.62 109.46 0.43 Allowed Pre-proline 0 CA--C 1.541 0.614 0 CA-C-O 118.402 -0.809 . . . . 1.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.97 117.8 2.62 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 121.21 1.274 . . . . 1.0 111.931 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' H ' ' H ' ' A' ' 39' ' ' GLU . 41.7 tt0 -175.22 -14.6 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.11 0.481 . . . . 1.0 110.988 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' O ' ' CE2' ' A' ' 43' ' ' TRP . 72.9 mt-10 -92.67 97.45 10.8 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.869 0.366 . . . . 1.0 110.549 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.1 t -65.0 -44.36 89.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.426 0.632 . . . . 1.0 111.251 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -51.28 -31.05 19.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 1.0 110.39 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -78.62 -36.76 43.67 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.398 -0.814 . . . . 1.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CE2' ' O ' ' A' ' 39' ' ' GLU . 1.4 m95 -76.08 -27.61 57.25 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.29 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 tp -59.21 -40.97 87.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.023 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.9 mmt -66.5 -36.89 83.84 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 123.441 0.463 . . . . 1.0 110.827 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HZ3' HD11 ' A' ' 50' ' ' LEU . 65.6 tttm -58.0 -48.65 79.37 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 124.923 1.389 . . . . 1.0 110.457 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.71 -45.06 69.6 Favored Glycine 0 CA--C 1.533 1.211 0 N-CA-C 111.143 -0.783 . . . . 1.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -63.61 -28.68 70.09 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.809 0.338 . . . . 1.0 110.605 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' O ' HD13 ' A' ' 53' ' ' LEU . . . -68.48 -50.34 53.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.824 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HZ3' ' A' ' 46' ' ' LYS . 26.0 mt -63.99 -43.49 95.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.192 -0.913 . . . . 1.0 110.682 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' ALA . 1.8 t80 -58.6 -50.61 73.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.33 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -61.77 -25.88 67.74 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.999 -0.281 . . . . 1.0 110.828 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.546 HD13 ' O ' ' A' ' 49' ' ' ALA . 5.2 mp -78.63 16.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.504 0.503 . . . . 1.0 110.563 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 74.65 8.44 4.33 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.42 0.688 . . . . 1.0 110.458 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -102.74 89.24 3.43 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.267 0.556 . . . . 1.0 109.993 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.403 ' O ' HG23 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.58 -35.97 57.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.789 0.804 . . . . 1.0 110.237 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.49 -47.94 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.163 -0.926 . . . . 1.0 111.066 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.31 -45.69 86.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.504 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' HB2' ' N ' ' A' ' 51' ' ' TYR . . . -56.57 -44.28 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.669 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 56' ' ' TYR . 40.8 t -61.0 -36.81 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.757 -0.46 . . . . 1.0 109.757 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.16 -35.93 74.39 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.789 -0.569 . . . . 1.0 110.595 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.6 m -70.77 -49.64 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.392 0.433 . . . . 1.0 110.362 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.414 ' CD1' ' C ' ' A' ' 63' ' ' TYR . 1.6 t80 -50.35 -45.51 55.15 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.52 -0.472 . . . . 1.0 109.94 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 32.6 m120 -60.42 -29.69 69.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.445 -0.502 . . . . 1.0 110.549 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.707 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 38.3 t80 -57.48 -49.35 76.58 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.459 1.1 . . . . 1.0 109.895 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.0 t -65.91 -45.52 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.756 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.8 mp -70.51 -26.48 28.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-O 121.018 0.437 . . . . 1.0 110.164 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASN . 21.4 t-20 -87.76 -69.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.644 -0.253 . . . . 1.0 110.951 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.707 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 97.2 t -52.88 -48.15 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 O-C-N 124.349 1.031 . . . . 1.0 110.556 -179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' O ' ' O ' ' A' ' 66' ' ' VAL . 48.5 mt -105.82 121.76 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.498 0.666 . . . . 1.0 109.587 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 73' ' ' GLU . 82.9 tt0 -59.49 -28.74 67.3 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 121.528 -0.732 . . . . 1.0 110.639 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' H ' HG22 ' A' ' 70' ' ' ILE . 61.4 m-20 -50.13 87.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.752 -0.592 . . . . 1.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.9 pp20? -101.0 -3.29 29.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.234 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 74' ' ' TYR . 59.3 t80 -85.05 45.17 1.14 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.199 0.523 . . . . 1.0 110.656 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -105.75 105.88 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.492 1.139 . . . . 1.0 110.162 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' NZ ' ' CZ ' ' A' ' 74' ' ' TYR . 63.9 mttp -62.54 -35.57 79.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.643 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -69.59 -47.53 63.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.02 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.7 t -63.6 -51.56 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.677 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.418 ' NE1' ' O ' ' A' ' 73' ' ' GLU . 15.7 m95 -59.18 -42.7 91.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 1.0 110.286 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.44 89.62 Favored 'General case' 0 N--CA 1.454 -0.254 0 O-C-N 122.19 -0.319 . . . . 1.0 110.747 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.36 -44.13 97.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.06 -40.42 85.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.176 0.513 . . . . 1.0 110.369 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.15 58.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.687 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -56.2 -42.22 76.81 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.397 0.436 . . . . 1.0 109.982 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.86 94.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 1.0 110.595 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 88' ' ' TYR . 80.8 mt -67.24 -21.14 65.74 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.44 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 88' ' ' TYR . 64.2 ttt-85 -73.67 25.93 0.07 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 120.407 -0.517 . . . . 1.0 110.534 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.513 ' H ' ' C ' ' A' ' 86' ' ' LEU . 91.1 m-85 -158.51 27.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.461 0.476 . . . . 1.0 110.723 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 15.1 tt -129.62 138.12 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-O 121.104 0.478 . . . . 1.0 110.271 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -82.72 154.86 24.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.113 0.482 . . . . 1.0 110.311 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 163.68 172.71 31.51 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 93' ' ' GLU . 56.8 mtpt -72.95 145.59 46.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 1.0 110.428 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 92' ' ' LYS . 81.2 tt0 57.99 152.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.5 t -68.16 92.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.87 -47.6 85.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.121 0.486 . . . . 1.0 110.818 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.67 -27.68 18.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.814 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -75.0 -42.41 57.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.002 0.43 . . . . 1.0 110.531 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.41 -47.53 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.108 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.84 -44.61 73.08 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.355 -0.538 . . . . 1.0 111.105 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -58.63 -46.67 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.989 0.805 . . . . 1.0 110.117 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . -68.03 -44.62 76.06 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -60.2 -37.29 79.81 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.85 -0.34 . . . . 1.0 110.611 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.6 97.49 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 122.235 -0.291 . . . . 1.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -93.14 -14.12 27.61 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.941 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' ALA . 35.3 tp -103.77 114.47 28.76 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.483 0.659 . . . . 1.0 109.991 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 74' ' ' TYR . 97.8 mt-10 -145.9 -13.49 0.48 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -79.41 170.05 17.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.939 0.4 . . . . 1.0 110.201 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -76.85 144.84 38.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.769 0.319 . . . . 1.0 110.147 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -67.39 -39.65 85.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.762 0.315 . . . . 1.0 110.539 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -71.02 118.11 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.452 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -67.64 -40.68 84.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.592 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.656 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptm . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.125 -0.695 . . . . 1.0 109.125 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.4 -28.85 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.532 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.957 0.408 . . . . 1.0 110.374 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -136.51 106.07 6.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.322 0.582 . . . . 1.0 109.91 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.621 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.4 OUTLIER -88.48 -32.86 0.4 Allowed Pre-proline 0 CA--C 1.536 0.42 0 CA-C-N 115.71 -0.677 . . . . 1.0 112.352 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 5' ' ' ASN . 54.8 Cg_endo -83.59 53.61 4.23 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 121.834 1.689 . . . . 1.0 112.187 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -73.63 -44.58 56.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.222 -0.924 . . . . 1.0 110.554 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.48 -33.86 71.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.514 0.673 . . . . 1.0 110.795 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.462 ' N ' ' CD1' ' A' ' 9' ' ' TYR . 4.4 m-30 -52.19 -22.48 4.37 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.237 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.1 p90 -50.47 -20.74 1.22 Allowed 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 121.599 -0.688 . . . . 1.0 110.172 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp -43.48 -24.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 121.443 -0.785 . . . . 1.0 110.864 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -56.02 -52.77 63.05 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.783 1.302 . . . . 1.0 110.94 -179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.527 ' N ' ' OE1' ' A' ' 12' ' ' GLU . . . -32.46 -35.09 0.02 OUTLIER Glycine 0 N--CA 1.475 1.246 0 O-C-N 124.752 1.283 . . . . 1.0 111.116 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 12' ' ' GLU . 47.7 t -75.19 -51.05 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 122.6 -0.353 . . . . 1.0 110.747 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLU . 90.8 mt -43.61 -67.74 0.25 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 122.358 -0.214 . . . . 1.0 110.53 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -47.64 -56.71 6.63 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.081 -0.341 . . . . 1.0 110.081 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.1 -61.67 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 121.681 -0.637 . . . . 1.0 110.738 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -75.49 -78.23 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.505 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.81 103.53 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.35 0.595 . . . . 1.0 110.47 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.44 73.91 0.15 Allowed Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.975 -0.85 . . . . 1.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -138.45 61.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.608 -0.348 . . . . 1.0 110.452 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -43.3 -35.26 1.43 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.39 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 26' ' ' ILE . 97.3 m -60.48 -49.51 77.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.079 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -55.93 -43.96 77.91 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.6 p -52.74 -24.83 9.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.196 0.522 . . . . 1.0 110.714 -179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 23' ' ' THR . 8.2 tt -58.44 -41.69 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.505 0.669 . . . . 1.0 110.647 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' ' CG2' ' A' ' 26' ' ' ILE . 94.1 m-20 -57.85 -43.28 85.78 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.917 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -68.47 -44.9 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.097 0.873 . . . . 1.0 110.673 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -59.38 -47.96 83.46 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.706 -0.798 . . . . 1.0 110.466 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -55.98 -39.17 71.44 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.443 -0.503 . . . . 1.0 110.647 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -58.61 -43.7 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.392 -0.523 . . . . 1.0 110.679 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.53 -44.29 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.221 -0.591 . . . . 1.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.9 mm -60.46 -44.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.597 -0.728 . . . . 1.0 110.065 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -54.78 -46.59 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.115 -0.366 . . . . 1.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.38 -42.64 78.83 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.755 0.66 . . . . 1.0 110.599 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -140.66 93.3 8.64 Favored Pre-proline 0 N--CA 1.465 0.319 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.796 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -87.61 54.72 2.67 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 121.378 1.385 . . . . 1.0 112.119 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -153.99 35.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 1.0 110.15 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -125.72 112.7 16.39 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.232 0.539 . . . . 1.0 110.098 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.6 t -68.49 -45.79 71.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.063 0.459 . . . . 1.0 110.989 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -50.3 -37.13 34.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 1.0 110.012 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.07 -35.67 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 121.292 -0.88 . . . . 1.0 110.405 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -75.52 -34.57 60.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.485 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD12 HG23 ' A' ' 78' ' ' VAL . 8.8 tt -58.7 -39.72 81.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.364 -179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.454 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -66.19 -39.95 90.06 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 119.927 -0.709 . . . . 1.0 110.89 -179.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -56.28 -46.45 79.71 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.9 1.375 . . . . 1.0 110.653 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.24 -47.69 73.18 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.159 -0.777 . . . . 1.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE2' HD21 ' A' ' 44' ' ' LEU . 64.4 mttm -61.18 -33.55 73.63 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.946 -0.301 . . . . 1.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.67 -50.01 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.706 -0.398 . . . . 1.0 110.799 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.443 ' CD1' ' SG ' ' A' ' 62' ' ' CYS . 46.3 mt -64.44 -40.28 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -59.72 -51.16 70.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.335 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -62.36 -24.76 67.53 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 122.238 -0.289 . . . . 1.0 110.617 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.55 14.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.64 0.588 . . . . 1.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 72.8 7.48 5.49 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 123.372 0.669 . . . . 1.0 110.288 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -93.36 65.26 3.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.003 0.43 . . . . 1.0 110.082 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 60' ' ' VAL . 32.3 m-85 -57.07 -40.59 77.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.069 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 9.6 pt-20 -67.55 -51.35 51.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 1.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 41.4 tt0 -59.95 -43.69 94.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.706 -0.679 . . . . 1.0 110.414 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.73 95.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.429 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 56' ' ' TYR . 24.9 t -58.19 -42.19 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.95 -35.08 75.82 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.792 -0.568 . . . . 1.0 110.348 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.443 ' SG ' ' CD1' ' A' ' 50' ' ' LEU . 85.0 m -69.93 -52.63 22.92 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.429 0.456 . . . . 1.0 110.529 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -53.37 -41.18 65.61 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.043 -0.663 . . . . 1.0 110.751 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 68' ' ' ASN . 42.2 t30 -62.1 -33.25 74.1 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.633 -0.427 . . . . 1.0 110.593 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.82 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 54.1 t80 -56.58 -43.75 80.37 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.455 1.097 . . . . 1.0 110.07 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.8 t -69.33 -44.1 80.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.736 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 65.1 mt -71.96 -25.42 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.141 0.496 . . . . 1.0 109.873 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 64' ' ' ASN . 27.5 t-20 -87.76 -70.26 0.64 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.53 -0.305 . . . . 1.0 111.079 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.82 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 90.2 t -51.07 -45.1 29.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 O-C-N 124.399 1.062 . . . . 1.0 110.396 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 72' ' ' ASP . 28.1 mt -107.3 120.73 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 1.0 109.747 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 73' ' ' GLU . 80.6 mm-40 -74.82 18.72 0.16 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.471 -0.768 . . . . 1.0 110.396 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 74' ' ' TYR . 50.9 t0 -71.46 41.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.763 -0.586 . . . . 1.0 110.403 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 71' ' ' GLU . 76.9 tt0 -61.28 72.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.165 0.507 . . . . 1.0 110.435 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 74' ' ' TYR . 69.7 t80 -168.04 34.01 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.313 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -108.3 108.52 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.951 0.881 . . . . 1.0 110.32 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -64.54 -36.59 84.71 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 121.87 -0.519 . . . . 1.0 110.79 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 44' ' ' LEU . 65.0 t0 -62.75 -43.37 98.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.661 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 44' ' ' LEU . 75.1 t -64.92 -46.77 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 1.0 110.464 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.424 ' CD1' ' N ' ' A' ' 79' ' ' TRP . 36.0 m0 -60.67 -45.11 95.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.341 . . . . 1.0 110.229 -179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.51 98.76 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 122.271 -0.268 . . . . 1.0 110.866 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.798 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -61.29 -42.09 98.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.413 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -48.65 63.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.389 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -55.08 -41.6 71.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.112 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.46 93.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.96 0.409 . . . . 1.0 110.769 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 88' ' ' TYR . 96.0 mt -65.69 -41.14 92.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.744 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -55.91 -5.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.473 ' H ' ' C ' ' A' ' 86' ' ' LEU . 84.3 m-85 -143.16 55.95 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.159 0.504 . . . . 1.0 110.749 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.6 tt -129.07 139.86 50.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-O 121.14 0.495 . . . . 1.0 110.62 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -59.07 142.6 50.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 1.0 110.752 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 73.12 61.63 3.39 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -78.66 101.79 7.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.304 0.574 . . . . 1.0 110.046 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 95' ' ' GLU . 80.6 mm-40 -112.73 72.35 0.77 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.201 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 2.1 t 54.83 7.13 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.531 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' H ' ' C ' ' A' ' 93' ' ' GLU . 76.3 mt-10 -66.53 -48.02 71.05 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.928 0.394 . . . . 1.0 110.387 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.48 -41.92 77.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -65.28 -47.26 77.28 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.717 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.88 -43.65 92.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.889 -0.325 . . . . 1.0 110.133 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.29 -47.8 75.39 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.965 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -58.23 -47.67 82.81 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.965 0.791 . . . . 1.0 110.727 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.32 75.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.762 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -64.42 -41.34 96.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.452 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.21 -42.89 75.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 1.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -66.79 -43.63 83.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.643 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 51.1 tp -67.32 99.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.261 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -71.98 -39.62 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 108' ' ' HIS . 58.5 t-80 -165.3 164.91 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.156 0.503 . . . . 1.0 109.922 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.45 ' N ' ' CG ' ' A' ' 107' ' ' HIS . 39.9 p-80 -150.93 121.47 7.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.045 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -67.69 -40.86 84.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 1.0 110.607 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 76.0 t60 -157.44 47.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 80.8 m80 50.15 -178.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.986 -1.007 . . . . 1.0 110.505 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 tpp . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.108 -0.701 . . . . 1.0 109.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.21 -37.88 80.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.623 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.149 0.5 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -125.28 11.57 8.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.086 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.447 HD21 ' HG2' ' A' ' 7' ' ' GLU . 0.8 OUTLIER 57.39 99.07 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.751 179.601 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.15 30.94 0.44 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 121.647 1.564 . . . . 1.0 112.215 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' HG2' HD21 ' A' ' 5' ' ' ASN . 2.4 mm-40 -65.17 -16.17 63.22 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.13 -0.981 . . . . 1.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -72.83 -32.74 65.69 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 123.345 0.403 . . . . 1.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -57.7 -24.59 57.62 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.899 0.38 . . . . 1.0 110.462 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.6 OUTLIER -49.52 -16.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.703 . . . . 1.0 110.446 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 pp -41.63 -22.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.503 -0.748 . . . . 1.0 110.776 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.4 pt-20 -58.7 -48.92 79.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 124.812 1.32 . . . . 1.0 110.616 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.421 ' N ' ' CG ' ' A' ' 12' ' ' GLU . . . -38.18 -40.52 0.88 Allowed Glycine 0 CA--C 1.526 0.753 0 O-C-N 124.783 1.302 . . . . 1.0 110.908 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.75 -58.36 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.488 -0.485 . . . . 1.0 110.974 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 19' ' ' ALA . 21.0 mt -43.54 -64.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.283 -0.266 . . . . 1.0 110.283 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.477 ' O ' ' O ' ' A' ' 19' ' ' ALA . 9.6 tp-100 -49.49 -54.92 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.206 -0.294 . . . . 1.0 110.206 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.58 -61.61 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.624 -0.672 . . . . 1.0 110.757 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -66.47 -67.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.983 0.42 . . . . 1.0 110.444 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -103.0 -128.27 0.23 Allowed 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.429 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.99 -92.6 0.75 Allowed Glycine 0 N--CA 1.471 0.999 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 57.04 37.4 28.67 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.599 -0.354 . . . . 1.0 110.352 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.799 ' CD2' HD21 ' A' ' 53' ' ' LEU . 10.5 p90 -64.62 -54.03 38.32 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.645 0.591 . . . . 1.0 110.413 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 26' ' ' ILE . 99.5 m -64.53 -42.87 95.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.626 0.579 . . . . 1.0 110.268 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -63.05 -44.75 94.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.893 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 22' ' ' TYR . 71.4 p -53.23 -28.11 25.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.297 0.57 . . . . 1.0 110.785 -179.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 23' ' ' THR . 7.3 tt -52.33 -35.22 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.377 0.608 . . . . 1.0 110.492 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' NZ ' ' A' ' 31' ' ' LYS . 27.1 t70 -65.85 -49.64 67.43 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.51 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD22 ' N ' ' A' ' 28' ' ' LEU . 3.4 mm? -60.42 -49.18 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.123 -0.944 . . . . 1.0 110.633 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CZ ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -62.55 -47.43 83.88 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.374 -0.53 . . . . 1.0 110.563 179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' N ' ' CD1' ' A' ' 29' ' ' PHE . 80.6 tt0 -51.85 -38.65 56.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.676 -179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' OD1' ' A' ' 27' ' ' ASP . 59.5 mttp -66.67 -40.14 88.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.816 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.65 70.99 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.571 -0.452 . . . . 1.0 110.914 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.507 HD12 ' CZ ' ' A' ' 29' ' ' PHE . 8.1 mt -63.1 -36.18 74.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.232 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -58.76 -41.67 87.09 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.103 -0.373 . . . . 1.0 110.515 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.1 mp -73.0 -40.2 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.492 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -146.25 99.88 4.2 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.896 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_endo -85.63 83.92 1.33 Allowed 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 121.211 1.274 . . . . 1.0 111.529 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -175.06 -9.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.505 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -71.14 97.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.206 0.527 . . . . 1.0 110.804 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -63.76 -46.28 86.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.935 0.398 . . . . 1.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -49.42 -30.58 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.117 0.484 . . . . 1.0 110.178 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -78.04 -36.73 48.18 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.416 -0.802 . . . . 1.0 110.604 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -67.14 -30.95 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.376 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.5 tt -53.62 -41.83 67.1 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.564 -0.743 . . . . 1.0 110.715 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 86.6 mmm -63.55 -40.79 97.9 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 119.892 -0.723 . . . . 1.0 110.352 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -50.92 -58.86 4.94 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.893 1.371 . . . . 1.0 110.921 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.98 59.85 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.126 -0.789 . . . . 1.0 111.126 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -56.25 -39.33 72.42 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.568 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.43 73.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 1.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.3 mt -61.41 -41.52 97.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.157 -0.929 . . . . 1.0 110.557 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.27 -49.52 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.491 . . . . 1.0 110.496 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.47 -30.57 71.35 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.655 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 ' CD2' ' A' ' 22' ' ' TYR . 25.5 mt -74.09 1.78 10.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 123.693 0.621 . . . . 1.0 110.083 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 80.19 22.81 0.44 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.669 0.388 . . . . 1.0 110.852 179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -109.59 70.81 0.74 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.269 0.556 . . . . 1.0 109.727 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -57.65 -40.39 79.18 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.861 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.69 -51.29 67.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.729 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -65.98 -38.37 88.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.406 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.04 -50.97 68.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.773 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.79 -43.22 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -63.76 -38.57 91.61 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 121.801 -0.562 . . . . 1.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 t -71.08 -52.1 21.35 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.395 0.435 . . . . 1.0 110.367 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -50.4 -41.65 52.53 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.215 -0.594 . . . . 1.0 110.178 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 39.3 t30 -59.04 -24.09 62.54 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 120.629 -0.428 . . . . 1.0 110.223 -179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.738 ' CZ ' HG21 ' A' ' 69' ' ' VAL . 50.3 t80 -59.48 -45.43 91.7 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 124.409 1.068 . . . . 1.0 109.894 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 70' ' ' ILE . 94.1 t -67.18 -46.49 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 O-C-N 123.32 0.388 . . . . 1.0 110.683 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 67' ' ' ILE . 1.6 mp -67.29 -38.62 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.165 0.507 . . . . 1.0 110.204 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -75.21 -71.41 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.96 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 65' ' ' TYR . 74.5 t -49.08 -46.01 17.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 O-C-N 124.331 1.019 . . . . 1.0 110.627 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.437 ' O ' ' O ' ' A' ' 66' ' ' VAL . 57.5 mt -113.1 130.46 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-O 121.795 0.807 . . . . 1.0 109.747 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 73' ' ' GLU . 26.2 tp10 -78.24 24.66 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.434 -0.791 . . . . 1.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 74' ' ' TYR . 32.8 p-10 -74.94 23.22 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.657 -0.652 . . . . 1.0 110.512 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 71' ' ' GLU . 83.7 tt0 -56.14 79.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.434 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 72' ' ' ASP . 87.1 t80 -168.08 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.868 -0.606 . . . . 1.0 110.641 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -43.6 112.05 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.975 0.893 . . . . 1.0 110.494 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -61.44 -36.8 81.4 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 121.832 -0.542 . . . . 1.0 110.417 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.78 -46.94 79.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.778 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -64.49 -49.47 80.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.371 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -59.46 -47.8 84.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 1.0 110.196 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.72 90.62 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.198 -0.314 . . . . 1.0 110.671 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.23 -46.87 88.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -58.01 -39.2 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.485 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.69 65.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.473 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -50.35 -41.7 51.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.226 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.8 -40.49 95.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 1.0 110.544 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 89' ' ' ILE . 88.7 mt -71.87 -19.52 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.51 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -69.89 -11.04 60.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.933 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -134.25 47.81 2.38 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.605 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 86' ' ' LEU . 15.0 tt -129.65 140.87 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 121.121 0.486 . . . . 1.0 110.412 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -59.93 122.03 13.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.445 0.64 . . . . 1.0 110.477 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.38 -174.29 38.32 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -85.65 26.55 0.94 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.808 0.337 . . . . 1.0 110.39 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 55.54 40.78 31.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.143 0.497 . . . . 1.0 110.756 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.9 p -127.98 -34.04 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.159 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.97 -51.75 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.886 0.374 . . . . 1.0 110.638 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.03 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.967 -0.293 . . . . 1.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.69 -52.03 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.212 -0.595 . . . . 1.0 110.813 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.8 -43.09 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.17 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.72 -55.09 37.4 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 120.303 -0.559 . . . . 1.0 110.862 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.68 -39.09 67.74 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 124.04 0.837 . . . . 1.0 110.489 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.11 -48.29 53.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 1.0 110.736 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -61.13 -39.69 90.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.657 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.86 -48.79 78.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 1.0 111.158 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.08 -46.72 41.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.681 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.6 tt -65.65 94.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.036 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -137.88 -50.14 0.59 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.466 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.41 ' ND1' ' C ' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -163.39 -173.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.91 0.386 . . . . 1.0 110.165 179.806 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -72.28 135.22 45.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 1.0 110.115 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -156.23 -55.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.745 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -75.87 127.48 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.465 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -74.59 135.94 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.555 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 85.2 t60 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.434 -179.946 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.191 -0.67 . . . . 1.0 109.191 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.29 -28.49 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.508 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -70.62 100.16 1.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.067 0.46 . . . . 1.0 110.516 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -66.42 -39.77 89.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 1.0 109.982 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.642 HD22 ' H ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -151.03 155.02 34.83 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.457 -0.497 . . . . 1.0 111.571 -179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 8' ' ' GLU . 31.7 Cg_exo -56.33 -80.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.109 1.873 . . . . 1.0 112.299 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 68.27 -48.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 O-C-N 121.145 -0.972 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 6' ' ' PRO . 80.6 mm-40 -77.05 -36.74 55.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.27 0.557 . . . . 1.0 110.904 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -53.78 -13.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -58.26 -10.21 1.89 Allowed 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 121.63 -0.669 . . . . 1.0 110.235 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.3 pp -46.84 -26.67 1.02 Allowed 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.472 -0.767 . . . . 1.0 110.765 -179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' VAL . 15.4 tm-20 -52.51 -51.49 59.23 Favored 'General case' 0 C--N 1.33 -0.246 0 O-C-N 124.75 1.281 . . . . 1.0 110.827 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 12' ' ' GLU . . . -34.62 -32.58 0.02 OUTLIER Glycine 0 N--CA 1.472 1.099 0 O-C-N 124.784 1.303 . . . . 1.0 111.19 178.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLU . 40.9 t -80.96 -51.81 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 O-C-N 122.467 -0.431 . . . . 1.0 110.618 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.9 mt -44.43 -67.72 0.26 Allowed 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 110.329 -0.248 . . . . 1.0 110.329 -179.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 22' ' ' TYR . 26.7 tp60 -47.06 -53.15 13.31 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 120.564 -0.454 . . . . 1.0 110.282 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -52.65 -61.94 1.96 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 121.64 -0.663 . . . . 1.0 110.728 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -76.38 -75.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.633 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -70.89 112.81 7.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.638 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.23 59.64 4.55 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.7 p30 -121.1 59.07 0.95 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.514 -0.404 . . . . 1.0 110.399 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.54 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 90.7 m-85 -39.02 -38.73 0.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.595 -0.729 . . . . 1.0 110.343 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -55.03 -49.73 70.85 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.621 0.575 . . . . 1.0 110.176 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -56.65 -45.09 81.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.937 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.6 m -50.45 -36.87 35.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 1.0 110.569 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.85 -44.18 98.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 O-C-N 122.015 -0.428 . . . . 1.0 110.213 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.88 -46.11 85.38 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 120.039 -0.664 . . . . 1.0 110.174 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.648 HD13 ' C ' ' A' ' 28' ' ' LEU . 3.4 tm? -69.56 -43.23 73.32 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.063 0.852 . . . . 1.0 110.92 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.96 -45.31 74.91 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 119.777 -0.769 . . . . 1.0 110.398 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -53.97 -35.38 61.73 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.688 -0.405 . . . . 1.0 110.502 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.25 -47.1 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.72 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.63 -52.14 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.879 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.4 mt -59.14 -42.36 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.164 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.8 tp60 -51.95 -35.74 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.116 -0.365 . . . . 1.0 110.439 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.43 -40.08 70.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.611 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -165.43 114.46 0.83 Allowed Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.94 -0.552 . . . . 1.0 110.733 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.489 ' C ' ' H ' ' A' ' 39' ' ' GLU . 66.1 Cg_endo -82.78 -10.33 10.64 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 121.122 1.215 . . . . 1.0 112.078 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -70.46 37.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.42 . . . . 1.0 110.679 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.7 mt-10 -130.27 99.43 5.03 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.22 0.533 . . . . 1.0 110.21 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 t -66.88 -45.32 78.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.972 0.415 . . . . 1.0 110.891 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' O ' ' SD ' ' A' ' 45' ' ' MET . 25.8 mtmm -48.88 -32.35 8.74 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -77.48 -33.17 54.63 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 121.407 -0.808 . . . . 1.0 110.479 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -78.15 -39.29 41.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.441 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.43 -39.89 77.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.475 ' SD ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -67.9 -38.89 83.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.843 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -57.36 -46.28 83.5 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 124.903 1.377 . . . . 1.0 110.494 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.1 -43.81 56.48 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -61.43 -34.17 74.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 1.0 110.478 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.22 -50.24 61.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.919 0.39 . . . . 1.0 110.987 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 43.1 mt -64.53 -43.03 95.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.209 -0.905 . . . . 1.0 110.664 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -57.52 -50.16 73.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.387 -0.525 . . . . 1.0 110.342 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -61.81 -24.3 66.78 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 121.005 -0.278 . . . . 1.0 110.603 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 50.5 mt -81.26 15.82 1.82 Allowed 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.632 0.583 . . . . 1.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' LEU . 84.7 mt-10 71.32 7.09 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.558 0.743 . . . . 1.0 110.383 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -91.92 60.07 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.122 0.487 . . . . 1.0 110.095 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.54 -37.83 68.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.419 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.83 -51.28 50.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.841 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.28 -42.75 99.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.716 -0.674 . . . . 1.0 110.441 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.94 -41.9 79.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 t -59.75 -36.8 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 1.0 109.946 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -60.04 -36.66 77.76 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.775 -0.578 . . . . 1.0 110.484 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 99.2 m -69.14 -50.49 47.43 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.386 0.429 . . . . 1.0 110.638 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -59.3 -43.26 92.63 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.362 -0.535 . . . . 1.0 110.418 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -64.03 -36.47 84.09 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.786 -0.365 . . . . 1.0 110.595 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.866 ' O ' HG22 ' A' ' 69' ' ' VAL . 60.2 t80 -59.22 -44.27 92.29 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 124.448 1.092 . . . . 1.0 109.94 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.419 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 98.5 t -63.65 -34.01 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 O-C-N 123.276 0.36 . . . . 1.0 110.467 -179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.5 mt -81.43 -22.05 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.15 0.5 . . . . 1.0 110.184 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -80.71 -79.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.305 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 65' ' ' TYR . 4.8 m -46.64 -40.42 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 O-C-N 124.305 1.003 . . . . 1.0 110.46 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.551 HG13 HG23 ' A' ' 69' ' ' VAL . 52.5 mt -107.59 115.65 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 122.065 0.936 . . . . 1.0 109.461 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -70.02 27.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 O-C-N 121.466 -0.771 . . . . 1.0 110.199 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' A' ' 70' ' ' ILE . 21.7 t0 -46.75 -56.96 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 121.783 -0.573 . . . . 1.0 110.414 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASP . 96.4 mt-10 32.18 42.69 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.369 0.604 . . . . 1.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -152.22 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.799 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.438 ' C ' HD22 ' A' ' 75' ' ' ASN . 0.3 OUTLIER -52.19 110.37 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.279 1.038 . . . . 1.0 110.262 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' N ' HD22 ' A' ' 75' ' ' ASN . 45.3 mmtm -65.0 -37.99 89.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.555 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.61 -40.89 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.549 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 86.1 t -65.57 -46.58 89.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.452 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.483 ' CZ3' ' NH2' ' A' ' 102' ' ' ARG . 71.2 m95 -64.97 -47.07 78.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 1.0 110.338 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.77 89.04 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.227 -0.296 . . . . 1.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.04 -44.82 94.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.725 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -61.54 -36.12 79.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.216 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.83 -47.87 73.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 1.0 110.575 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -52.9 -42.34 65.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.3 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.65 -37.9 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.986 0.422 . . . . 1.0 110.675 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -74.51 -23.19 58.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.469 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -66.84 -20.09 65.86 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.906 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -130.04 58.15 1.67 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.744 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' GLY . 17.9 tt -127.37 136.02 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.087 0.47 . . . . 1.0 110.416 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 56.02 -84.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 1.0 110.508 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 89' ' ' ILE . . . -179.56 127.38 1.12 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm 45.89 -103.3 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.703 -0.293 . . . . 1.0 110.496 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 95' ' ' GLU . 22.8 tp10 66.9 139.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.911 0.386 . . . . 1.0 110.538 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 m -84.27 -3.87 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.265 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.442 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 91.7 mt-10 -58.38 -48.34 80.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.848 0.356 . . . . 1.0 110.619 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.8 -27.26 50.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.881 -0.328 . . . . 1.0 110.92 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -67.61 -46.62 72.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.101 0.477 . . . . 1.0 110.575 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.474 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.8 mp -61.08 -44.68 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.144 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.46 72.03 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.738 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -58.89 -46.37 87.99 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 124.0 0.812 . . . . 1.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.06 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 1.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' NH2' ' CZ3' ' A' ' 79' ' ' TRP . 57.6 ttp180 -63.26 -39.55 94.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.033 0.444 . . . . 1.0 110.58 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.07 -48.78 79.11 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.187 -0.321 . . . . 1.0 111.029 -179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -67.55 -44.05 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.052 0.453 . . . . 1.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.3 tp 50.37 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.181 -179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -64.64 146.32 54.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.63 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -58.79 154.44 14.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.209 0.528 . . . . 1.0 110.296 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.408 ' ND1' ' N ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -156.4 -171.22 3.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.087 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 41.4 m80 54.06 -113.44 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.303 . . . . 1.0 110.551 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' CD2' ' O ' ' A' ' 110' ' ' HIS . 41.9 p-80 -91.46 115.28 27.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.958 0.409 . . . . 1.0 110.452 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 111' ' ' HIS . 0.1 OUTLIER -86.09 158.7 19.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.828 -0.623 . . . . 1.0 110.483 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.558 -179.835 . . . . . . . . 0 0 . 1 stop_ save_