data_2lm0_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 2lm0 _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 ' 760' ' ' SER . . . . . 0.434 ' HG ' ' H ' ' A' ' 761' ' ' LEU . 70.3 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.672 0.272 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 760' ' ' SER . 4.7 mp -131.19 136.35 48.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.498 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 48.3 mtp -127.55 155.49 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.066 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 72.5 t -103.14 122.53 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -127.31 124.12 37.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 766' ' ' THR . 53.4 mt -106.99 117.23 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.21 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 765' ' ' ILE . 10.2 t -35.14 134.24 0.27 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 123.487 0.492 . . . . 0.0 110.76 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -17.52 57.27 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.547 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.51 -56.47 5.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.54 37.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.335 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.6 OUTLIER -112.86 -51.76 2.82 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 3.0 p 84.42 -56.32 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.684 0.278 . . . . 0.0 110.911 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . 0.53 ' CZ ' ' NE2' ' A' 1524 ' ' GLN . 58.8 mtt180 -86.26 132.66 33.94 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.661 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.9 mp -128.88 97.41 26.93 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 N--CA 1.493 1.49 0 C-N-CA 122.519 2.146 . . . . 0.0 112.367 -179.288 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1502 ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' 1504 ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.0 t80 -39.48 -27.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.013 0.435 . . . . 0.0 110.961 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1504 ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' 1502 ' ' ALA . 18.6 mt -53.64 -37.11 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.33 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1505 ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' 1506 ' ' GLU . 26.7 p-10 -46.58 -47.48 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1506 ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' 1505 ' ' ASP . 33.4 tt0 -55.81 -60.74 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.607 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1507 ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' 1511 ' ' HIS . 12.9 mt -51.04 -47.25 61.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 79.6 t -55.37 -56.14 13.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.297 0.57 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1509 ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' 1512 ' ' ARG . 25.7 tp10 -53.67 -44.68 69.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.413 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.8 tp -47.59 -61.81 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1511 ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' 1507 ' ' LEU . 2.3 m-70 -38.99 -41.26 0.75 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.786 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' 1509 ' ' GLU . 13.6 mtm180 -64.86 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.417 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -41.19 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' 1512 ' ' ARG . 4.7 mt -75.23 -36.65 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.344 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 1512 ' ' ARG . 13.4 mtp -65.51 -30.8 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.1 m -91.66 46.94 1.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.621 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.01 130.81 56.93 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -154.36 67.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1520 ' ' ARG . 29.2 mt-10 -133.38 -6.08 2.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.53 ' C ' ' H ' ' A' 1522 ' ' ILE . 47.9 mtm180 48.64 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 37.5 t-80 72.89 -33.47 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.53 ' H ' ' C ' ' A' 1520 ' ' ARG . 45.3 mt -84.59 -41.47 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.79 -34.16 3.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1524 ' ' GLN . . . . . 0.53 ' NE2' ' CZ ' ' A' ' 772' ' ' ARG . 12.8 tt0 -66.83 -25.46 66.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.69 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1525 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1522 ' ' ILE . 56.4 mm-40 -90.02 -4.6 57.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 98.9 mt -105.32 -25.78 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.463 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -90.95 -47.64 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 26.6 tp -51.53 -49.91 61.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.635 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' 1530 ' ' ILE . 1.4 mp -74.52 -38.14 45.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.186 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -41.1 -47.47 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.744 0.307 . . . . 0.0 110.848 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.38 -21.98 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' 1534 ' ' GLY . 0.0 OUTLIER -128.99 106.99 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . -47.37 178.04 0.01 OUTLIER Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1535 ' ' HIS . . . . . 0.735 ' HE2' ' HG ' ' A' 1549 ' ' SER . 53.8 t60 111.12 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.47 0.708 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 55.4 p90 -139.88 134.53 31.78 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 31.6 m80 -89.22 125.77 35.22 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.5 tp -108.77 148.93 12.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.084 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.59 146.18 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.017 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.65 3.72 2.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1541 ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' 1542 ' ' THR . 77.7 p -138.91 -5.1 1.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.403 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 87.8 m -168.41 156.56 8.38 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.98 125.86 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1544 ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' 1544 ' ' ASP . 9.6 p-10 -135.34 -170.93 2.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.23 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -174.3 173.6 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.347 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -114.41 118.85 35.0 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.081 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1547 ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' 1547 ' ' LEU . 0.1 OUTLIER -87.92 -10.23 51.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 11.7 p -92.23 7.85 40.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.735 ' HG ' ' HE2' ' A' 1535 ' ' HIS . 49.5 m -106.53 -51.89 2.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.493 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.65 165.85 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.25 154.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.534 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -70.92 -16.49 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.663 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 41.4 p -66.9 -42.01 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 24.6 m -56.91 -35.62 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.534 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.2 t -71.09 -38.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.791 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.94 -54.31 27.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.44 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 61.7 mt -49.55 -59.78 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -41.97 15.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.9 t -52.87 -66.5 0.37 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.845 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.523 ' C ' ' H ' ' A' 1563 ' ' GLU . 1.4 m-85 -53.32 -36.84 61.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.67 -1.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1563 ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' 1561 ' ' TYR . 43.1 mt-10 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.34 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.807 0.337 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.7 128.72 39.57 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.83 117.6 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.687 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.96 121.9 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.986 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 127.42 38.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.122 0.487 . . . . 0.0 110.58 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 765' ' ' ILE . 2.7 mp -106.55 114.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 58.9 m -48.18 161.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.19 -43.36 12.29 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -51.66 -20.47 2.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 32.7 mt -100.16 10.51 41.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 110.833 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 16.0 mt -114.93 145.55 42.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 0.0 110.394 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 15.8 m -108.61 -20.6 13.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.546 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -127.09 139.86 52.69 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.178 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.53 108.39 20.91 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--N 1.314 -1.267 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.729 0.3 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.37 -30.1 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 39.9 mt -54.82 -32.76 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -46.92 -44.55 19.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.511 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.42 -52.66 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 6.9 mt -47.93 -49.83 28.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 75.6 t -57.67 -52.4 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.378 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -14.91 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.25 -44.32 21.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -53.79 -40.29 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.107 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' 1515 ' ' MET . 53.3 ttp180 -65.7 -70.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.919 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -37.92 -29.91 0.03 OUTLIER 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1516 ' ' THR . 14.2 mt -80.21 -39.03 29.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.6 ttm -60.82 76.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.644 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1516 ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' 1514 ' ' LEU . 16.7 p 55.84 83.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.86 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.695 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -153.04 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.462 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.036 0.446 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 54.44 42.77 31.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -150.93 6.11 0.51 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 14.6 pt -103.67 -4.47 9.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 110.334 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' 1525 ' ' GLN . 30.5 mt -63.4 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.81 -6.08 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1525 ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' 1523 ' ' LEU . 32.9 mt-30 -107.66 -25.73 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 87.2 mt -79.02 -44.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.741 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.5 t -56.95 -44.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.109 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.06 -36.8 84.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.67 -48.52 77.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.49 -36.06 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -55.73 -26.72 46.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.1 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.07 -39.23 19.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.223 0.535 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' 1534 ' ' GLY . 78.5 p -69.53 -80.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.759 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . 136.14 168.82 11.6 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1535 ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' 1534 ' ' GLY . 2.1 t-160 77.99 52.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.473 -0.428 . . . . 0.0 110.805 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -143.4 135.85 27.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -89.7 128.26 36.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.41 146.97 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.583 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -153.54 143.41 21.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 109.902 178.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.88 3.44 1.98 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1541 ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' 1539 ' ' THR . 3.0 p -134.7 -10.57 2.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.9 t -167.35 156.63 10.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.266 0.555 . . . . 0.0 110.61 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1543 ' ' PHE . . . . . 0.46 ' CD2' ' O ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -157.68 125.53 5.34 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 3.7 p30 -135.66 -168.76 2.26 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -170.2 166.76 8.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.377 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1546 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1546 ' ' ASP . 0.6 OUTLIER -112.27 109.51 19.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.371 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 7.3 mt -78.37 -6.05 54.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.061 0.458 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 27.6 p -76.09 8.49 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 41.0 t -134.43 -36.04 0.89 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.88 142.14 58.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -46.9 153.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -12.3 60.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.548 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 61.3 p -67.4 -51.45 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.9 m -53.04 -44.44 67.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.368 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 12.3 t -66.13 -41.1 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.677 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -63.02 -39.08 93.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 110.694 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.36 -44.75 74.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.974 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.05 -68.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.48 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -43.55 -39.19 3.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.234 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 1.2 t -48.5 -57.23 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1561 ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 -34.67 76.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.03 -10.73 4.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.7 mp -133.59 135.31 44.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.289 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 60.9 mtp -128.35 119.63 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.704 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.66 122.25 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.75 124.86 36.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.19 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 71.2 mt -106.27 114.19 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 4.7 m -45.57 148.47 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 769' ' ' LEU . 4.0 mm? -83.15 -33.53 26.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.9 OUTLIER -57.31 -5.58 0.32 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 767' ' ' LEU . 48.7 mt -117.23 15.93 14.89 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 6.3 mt -123.87 156.74 35.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 50.5 m -112.61 -64.57 1.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.725 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -91.69 133.51 35.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.86 129.41 24.03 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo . . . . . 0 N--CA 1.489 1.234 0 C-N-CA 122.551 2.168 . . . . 0.0 112.346 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 51.5 t80 -50.72 -41.62 56.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.37 -26.43 7.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -49.85 -39.12 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -69.76 -60.34 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 55.6 mt -48.3 -47.63 36.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 54.9 t -57.13 -59.22 3.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.04 -29.06 67.0 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.805 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.72 -53.14 29.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -40.6 -43.7 1.96 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.38 0.609 . . . . 0.0 110.275 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' 1515 ' ' MET . 41.4 ttt85 -64.89 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -42.11 -26.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' 1512 ' ' ARG . 31.6 mt -76.03 -35.57 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' 1512 ' ' ARG . 6.4 mmt -64.04 -14.64 55.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.343 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 5.1 m -64.32 -44.35 91.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.291 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 24.8 tp 58.06 -97.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 54.55 52.03 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -169.3 177.61 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.557 ' O ' ' CG ' ' A' 1521 ' ' HIS . 4.8 ptp180 -176.5 67.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1521 ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' 1520 ' ' ARG . 5.9 m80 -174.5 -17.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 8.0 mt -98.56 -22.01 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.161 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' 1525 ' ' GLN . 54.6 mt -52.38 -32.19 37.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1524 ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' 1528 ' ' ASN . 9.0 pt20 -60.52 -8.0 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.637 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1525 ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' 1523 ' ' LEU . 57.2 mt-30 -105.25 -42.36 5.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.59 -53.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 41.3 t -55.93 -44.07 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.983 0.42 . . . . 0.0 110.613 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1528 ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1524 ' ' GLN . 1.3 m-20 -62.67 -48.22 80.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.2 mp -48.37 -55.93 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.708 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.573 ' O ' ' OG1' ' A' 1533 ' ' THR . 20.5 mm -67.61 -38.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.314 0.578 . . . . 0.0 110.807 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -46.71 -39.85 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.686 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.31 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.678 ' HG1' ' H ' ' A' 1534 ' ' GLY . 53.4 p -59.81 -97.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.678 ' H ' ' HG1' ' A' 1533 ' ' THR . . . 145.9 6.21 0.41 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 23.1 m170 -120.78 59.73 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 20.5 p90 -142.35 133.29 25.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 19.6 m80 -90.45 129.13 36.67 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.4 146.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.225 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -153.65 144.82 22.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.89 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.38 1.92 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1541 ' ' THR . . . . . 0.438 ' O ' ' OG1' ' A' 1542 ' ' THR . 12.1 p -141.44 0.44 1.48 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' 1539 ' ' THR . 20.9 m -167.99 147.27 4.74 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-O 120.939 0.399 . . . . 0.0 110.661 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.11 120.1 4.03 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -136.09 -168.72 2.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.456 0.646 . . . . 0.0 110.793 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 9.6 p90 -173.06 171.78 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.403 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1546 ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' 1546 ' ' ASP . 14.0 p-10 -119.0 112.43 19.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.151 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1547 ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' 1547 ' ' LEU . 0.6 OUTLIER -79.52 -3.66 47.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.105 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 18.7 t -67.13 -12.9 61.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 70.1 m -104.19 -54.48 2.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.876 0.37 . . . . 0.0 110.648 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 19.7 mt -42.69 139.84 1.48 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -46.09 155.24 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.359 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -65.67 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.659 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 29.5 p -71.6 -31.93 67.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.376 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 8.8 m -57.67 -57.69 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 5.1 m -60.49 -39.32 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1556 ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' 1560 ' ' SER . 37.1 ttm180 -61.57 -42.9 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.23 0.538 . . . . 0.0 110.45 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -68.21 -47.25 68.39 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.42 0.629 . . . . 0.0 110.57 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.55 -61.25 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1559 ' ' GLN . . . . . 0.421 ' O ' ' OE2' ' A' 1563 ' ' GLU . 77.7 mt-30 -44.17 -38.19 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.147 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1560 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.3 m -53.51 -72.11 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.575 ' CD1' ' C ' ' A' 1561 ' ' TYR . 0.1 OUTLIER -45.86 -37.89 6.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 110.404 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 3.0 mt -59.73 -47.66 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.826 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1563 ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' 1559 ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.262 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.42 133.63 46.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 53.7 mmm -127.23 118.18 23.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.68 125.19 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -127.23 124.77 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 765' ' ' ILE . 96.3 mt -107.21 117.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.1 m -37.15 102.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.97 -7.74 53.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.099 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.83 -30.68 71.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 21.3 mt -112.49 31.09 6.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.326 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 771' ' ' SER . 1.0 OUTLIER -77.77 -38.85 45.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.52 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' SER . . . . . 0.45 ' H ' ' CD2' ' A' ' 770' ' ' LEU . 1.2 m 76.75 -76.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -81.51 124.8 29.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.99 130.21 24.4 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.06 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.491 1.375 0 C-N-CA 122.096 1.864 . . . . 0.0 111.495 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1503 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 1505 ' ' ASP . 30.0 t80 -45.65 -41.3 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.727 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -16.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1505 ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' 1503 ' ' TYR . 90.3 m-20 -56.71 -54.71 43.01 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.976 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.68 -33.87 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.721 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -45.27 80.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 48.8 t -57.48 -49.08 81.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 121.21 0.529 . . . . 0.0 109.79 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -58.12 -45.64 86.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.0 tp -49.0 -48.04 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.041 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1511 ' ' HIS . . . . . 0.409 ' O ' ' ND1' ' A' 1511 ' ' HIS . 1.5 t60 -49.9 -41.15 45.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' 1515 ' ' MET . 92.8 mtt180 -63.63 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.068 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -40.88 -29.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.32 -39.19 59.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.087 0.47 . . . . 0.0 110.685 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' 1512 ' ' ARG . 32.6 ttm -63.5 -48.6 76.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 4.3 m -82.51 49.02 1.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 111.161 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1517 ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' 1517 ' ' LEU . 1.4 pp -49.4 177.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.552 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1518 ' ' ARG . . . . . 0.666 ' N ' ' NE ' ' A' 1518 ' ' ARG . 0.0 OUTLIER -165.97 25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.642 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -172.02 145.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.268 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.592 ' C ' ' H ' ' A' 1522 ' ' ILE . 1.5 mpt_? -100.68 -165.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 9.7 t-80 70.44 -21.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.592 ' H ' ' C ' ' A' 1520 ' ' ARG . 95.6 mt -87.83 -40.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.88 -37.97 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1524 ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 770' ' ' LEU . 3.2 mm100 -73.04 -28.25 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1525 ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' 1522 ' ' ILE . 79.7 mt-30 -78.0 -10.56 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.718 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1526 ' ' ILE . . . . . 0.421 HG22 HD12 ' A' 1526 ' ' ILE . 89.6 mt -99.79 -48.16 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.7 t -56.35 -45.66 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.944 0.402 . . . . 0.0 111.017 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -64.12 -49.65 71.35 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.976 0.417 . . . . 0.0 110.645 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 4.3 tp -48.77 -36.27 16.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.478 ' O ' ' OG1' ' A' 1533 ' ' THR . 46.4 mm -80.85 -28.04 11.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.032 0.444 . . . . 0.0 110.486 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -58.7 -29.2 66.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.093 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.82 -37.36 67.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' 1530 ' ' ILE . 64.7 p -54.1 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 156.51 -43.69 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -78.6 62.8 3.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.939 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -143.34 133.52 24.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -96.95 134.24 40.56 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.249 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -109.51 146.73 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' 1541 ' ' THR . 0.2 OUTLIER -152.64 142.71 22.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.154 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.9 5.13 1.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.738 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1541 ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' 1539 ' ' THR . 82.4 p -131.06 -15.8 3.28 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.412 ' HG1' ' H ' ' A' 1543 ' ' PHE . 1.4 t -167.57 162.82 14.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.223 0.535 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1543 ' ' PHE . . . . . 0.412 ' H ' ' HG1' ' A' 1542 ' ' THR . 0.0 OUTLIER -158.94 127.28 5.19 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1544 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1544 ' ' ASP . 35.4 p-10 -137.83 -169.47 2.56 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -170.09 169.39 8.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.516 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -110.81 107.39 16.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.11 -7.03 51.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 60.5 m -84.15 9.01 13.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.636 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.4 m -127.49 -24.62 3.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 14.2 mt -83.72 171.4 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.577 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.94 153.64 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.73 -11.4 60.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1553 ' ' THR . . . . . 0.474 ' HG1' ' N ' ' A' 1554 ' ' THR . 82.3 p -66.96 -52.43 42.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1554 ' ' THR . . . . . 0.474 ' N ' ' HG1' ' A' 1553 ' ' THR . 7.4 p -53.62 -38.41 64.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.052 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.5 t -69.27 -40.24 80.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.916 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -61.71 -38.44 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.6 -57.56 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.44 -56.83 5.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.025 0.44 . . . . 0.0 111.073 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1559 ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' 1559 ' ' GLN . 0.1 OUTLIER -48.37 -44.48 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.246 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 6.9 t -52.52 -72.26 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.971 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.4 OUTLIER -50.89 -36.85 40.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.31 -19.4 61.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.559 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 761' ' ' LEU . 1.8 t . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.836 0.35 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . 0.467 ' N ' ' HG ' ' A' ' 760' ' ' SER . 0.1 OUTLIER -155.74 119.7 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.134 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.04 150.06 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.092 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 36.1 t -102.92 123.97 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -127.85 123.63 35.57 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.155 0.502 . . . . 0.0 109.738 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 766' ' ' THR . 56.5 mt -106.57 119.38 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.997 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 765' ' ' ILE . 0.2 OUTLIER -40.38 163.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 -179.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.35 -28.31 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.797 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 768' ' ' ASP . 0.4 OUTLIER -82.07 -32.31 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.8 -178.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 769' ' ' LEU . 3.6 mm? -78.43 -14.71 59.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.939 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.2 OUTLIER -79.58 -44.27 21.39 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.007 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 772' ' ' ARG . 4.3 p 86.52 -41.74 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.032 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' HG ' ' A' ' 771' ' ' SER . 4.9 tpt180 -116.59 154.36 30.62 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 773' ' ' ILE . 0.1 OUTLIER -129.54 108.04 17.33 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.778 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.499 1.836 0 C-N-CA 122.259 1.973 . . . . 0.0 112.067 179.487 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1502 ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' 1504 ' ' LEU . . . . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.724 0.297 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.8 t80 -42.21 -20.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 111.088 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1504 ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' 1502 ' ' ALA . 2.2 pp -68.87 -33.31 73.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.279 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1505 ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' 1506 ' ' GLU . 2.2 p30 -50.66 -43.83 57.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1506 ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' 1505 ' ' ASP . 36.4 tp10 -62.15 -49.38 76.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.57 -42.54 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.672 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 53.0 t -60.4 -51.33 74.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.23 0.538 . . . . 0.0 110.328 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.58 -46.68 86.43 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.474 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1510 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.4 tp -47.03 -63.97 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1511 ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' 1510 ' ' LEU . 4.3 t-80 -31.52 -40.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.593 0.558 . . . . 0.0 110.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.9 mtp85 -66.49 -72.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.651 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -40.5 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' 1512 ' ' ARG . 11.9 mt -84.24 -35.87 23.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' 1515 ' ' MET . 0.0 OUTLIER -64.33 78.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.703 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1516 ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' 1514 ' ' LEU . 3.9 m 50.45 83.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.621 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.25 -76.09 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.233 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -171.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -83.84 145.25 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -71.13 -151.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.411 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1521 ' ' HIS . . . . . 0.554 ' C ' ' H ' ' A' 1523 ' ' LEU . 26.9 m80 46.95 -172.87 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 17.5 mt 64.11 -41.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 123.339 0.399 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.554 ' H ' ' C ' ' A' 1521 ' ' HIS . 18.5 mt -51.7 -44.77 63.27 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -72.01 -37.04 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -69.3 -13.88 62.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 78.0 mt -102.68 -12.94 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 42.4 t -91.43 -50.09 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 110.337 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.24 -37.56 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 16.7 tp -51.67 -56.31 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.606 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.493 ' O ' ' OG1' ' A' 1533 ' ' THR . 5.9 mm -70.0 -41.38 79.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.086 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -38.48 -49.58 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.47 -15.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.839 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' 1530 ' ' ILE . 70.7 p -66.09 -27.36 68.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.555 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 80.2 21.42 65.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.61 74.33 1.51 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1536 ' ' PHE . . . . . 0.616 ' CZ ' ' CG ' ' A' 1545 ' ' PHE . 0.2 OUTLIER -138.7 127.46 23.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -95.54 124.74 39.71 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.53 148.41 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -148.57 142.38 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.35 0.88 3.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.02 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 24.4 p -126.11 -12.75 6.33 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -176.46 169.4 2.64 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 110.955 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -161.8 131.07 4.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -137.63 -172.53 3.25 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.206 0.527 . . . . 0.0 111.243 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1545 ' ' PHE . . . . . 0.616 ' CG ' ' CZ ' ' A' 1536 ' ' PHE . 1.9 p90 -167.45 164.29 14.97 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.49 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.65 118.01 31.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1547 ' ' LEU . . . . . 0.408 ' H ' HD13 ' A' 1547 ' ' LEU . 2.1 mp -87.51 -4.12 58.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.539 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 87.5 m -78.92 7.43 7.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.785 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 59.1 p -114.82 -17.48 11.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.705 0.288 . . . . 0.0 110.43 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 11.5 mt -89.37 167.46 13.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.614 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1551 ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' 1552 ' ' LYS . 14.7 t70 -74.06 173.41 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1552 ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' 1551 ' ' ASP . 0.0 OUTLIER -78.28 -15.23 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 -179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 20.4 p -62.63 -47.45 83.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.392 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 41.2 m -56.65 -44.45 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 50.8 t -58.85 -39.39 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -60.98 -41.96 97.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -64.16 -44.24 92.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.4 -65.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -43.36 -41.6 4.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.31 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1560 ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' 1561 ' ' TYR . 1.4 p -52.8 -62.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.537 ' N ' ' OG ' ' A' 1560 ' ' SER . 4.8 m-85 -60.08 -38.38 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.142 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.95 -62.06 2.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1563 ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' 1563 ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.99 0.424 . . . . 0.0 110.217 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.753 0.311 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.45 131.07 41.33 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 62.1 mtp -125.33 118.01 25.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.475 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.48 123.94 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.288 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -128.08 122.96 33.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 93.5 mt -106.61 118.63 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.947 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' A' ' 766' ' ' THR . 6.1 m -37.23 113.21 0.24 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.577 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.07 -40.67 64.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.078 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.98 -54.95 27.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.016 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.68 41.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 771' ' ' SER . 4.0 tt -118.03 138.15 52.4 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 770' ' ' LEU . 16.3 m -10.87 -94.84 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.235 0.96 . . . . 0.0 111.324 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -145.72 176.52 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.785 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . 0.407 ' O ' ' O ' ' A' ' 774' ' ' PRO . 1.8 mp -108.59 103.5 51.46 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.965 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 773' ' ' ILE . 68.6 Cg_exo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.898 2.398 . . . . 0.0 112.109 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1502 ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1503 ' ' TYR . . . . . 0.615 ' CE1' ' NZ ' ' A' 1552 ' ' LYS . 44.5 t80 -52.96 -26.39 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.728 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.93 -27.68 32.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.333 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1505 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1505 ' ' ASP . 22.3 p-10 -48.47 -41.35 29.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.86 -57.81 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 45.6 mt -49.34 -44.24 44.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 89.2 t -57.31 -56.29 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.363 0.601 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -54.67 -43.65 72.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.523 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.74 -58.72 5.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -37.89 -41.64 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' 1515 ' ' MET . 15.2 mtp-105 -65.65 -72.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -39.95 -24.5 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' 1512 ' ' ARG . 44.9 mt -79.69 -36.65 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' 1512 ' ' ARG . 83.6 mmm -63.49 -60.23 3.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 82.2 p -79.91 50.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.69 154.41 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.811 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' ARG . . . . . 0.461 ' CG ' ' H ' ' A' 1519 ' ' GLU . 3.1 tpt180 -140.01 -127.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.461 ' H ' ' CG ' ' A' 1518 ' ' ARG . 41.7 mt-10 51.04 100.02 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.546 ' C ' ' H ' ' A' 1522 ' ' ILE . 17.2 mmm-85 -68.76 -165.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 15.7 t-80 73.73 -28.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.546 ' H ' ' C ' ' A' 1520 ' ' ARG . 90.6 mt -87.82 -40.0 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.342 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1523 ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' 1523 ' ' LEU . 4.1 mm? -54.57 -42.27 70.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.882 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1524 ' ' GLN . . . . . 0.464 ' N ' ' OG ' ' A' ' 771' ' ' SER . 9.4 pt20 -64.42 -8.58 13.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.53 -5.18 17.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1526 ' ' ILE . . . . . 0.418 HD12 HG21 ' A' 1526 ' ' ILE . 94.0 mt -103.84 -49.54 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.412 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 49.1 t -58.51 -47.35 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1528 ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' 1528 ' ' ASN . 1.5 m-20 -63.97 -38.02 89.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.328 0.585 . . . . 0.0 110.503 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.31 -48.54 78.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.495 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.7 mp -68.22 -30.31 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.966 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.19 -35.81 65.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.515 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 47.8 tp10 -65.89 -33.4 75.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' 1534 ' ' GLY . 31.4 p -57.34 -115.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.501 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 164.3 3.7 0.04 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -120.54 59.48 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.87 0.367 . . . . 0.0 110.783 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1536 ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' 1536 ' ' PHE . 5.4 p90 -144.25 133.82 23.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.5 132.85 36.47 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.991 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1538 ' ' ILE . . . . . 0.426 ' C ' ' HG1' ' A' 1539 ' ' THR . 5.1 mm -110.42 144.43 18.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.276 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -151.99 141.11 21.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.786 178.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1540 ' ' ASN . . . . . 0.4 ' N ' HD21 ' A' 1540 ' ' ASN . 3.1 m120 -68.24 3.67 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1541 ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' 1539 ' ' THR . 22.8 p -133.04 -11.25 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.4 t -168.86 160.02 9.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.189 0.519 . . . . 0.0 110.629 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.63 127.99 4.98 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.2 p30 -137.03 -169.19 2.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 10.6 p90 -169.91 167.09 9.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.332 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -115.33 110.77 19.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.0 -3.61 42.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1548 ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' 1548 ' ' CYS . 42.9 t -77.58 0.08 24.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 33.7 t -123.98 -40.82 2.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.46 141.41 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -40.97 150.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1552 ' ' LYS . . . . . 0.615 ' NZ ' ' CE1' ' A' 1503 ' ' TYR . 12.7 ttmm -71.55 -18.71 62.24 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.229 0.538 . . . . 0.0 110.682 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 18.3 p -62.65 -54.33 41.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.1 m -46.62 -41.44 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.3 t -61.54 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -64.24 -37.05 86.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1557 ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' 1560 ' ' SER . 13.9 mptt -65.69 -55.98 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.307 0.575 . . . . 0.0 110.082 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 86.0 mt -46.31 -60.74 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -45.51 -43.07 11.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1560 ' ' SER . . . . . 0.585 ' OG ' ' CD1' ' A' 1561 ' ' TYR . 6.1 p -48.89 -66.32 0.42 Allowed 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.154 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.585 ' CD1' ' OG ' ' A' 1560 ' ' SER . 0.9 OUTLIER -59.59 -34.52 72.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -37.07 85.84 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.333 -179.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.75 134.84 41.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.728 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 40.2 mtt -128.11 119.97 26.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' 1544 ' ' ASP . 28.9 t -70.04 129.03 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 123.71 30.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.926 0.393 . . . . 0.0 109.987 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 765' ' ' ILE . 1.8 mp -104.4 118.2 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.888 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 768' ' ' ASP . 1.6 m -37.15 109.74 0.1 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.301 0.572 . . . . 0.0 111.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.95 5.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 766' ' ' THR . 1.1 m-20 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.36 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 15.4 mt -120.06 23.08 11.19 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 770' ' ' LEU . 0.0 OUTLIER -73.82 148.94 41.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 179.343 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 770' ' ' LEU . 81.2 p -15.21 -89.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . 0.43 ' N ' ' OG ' ' A' ' 771' ' ' SER . 0.1 OUTLIER -153.13 165.29 36.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.705 177.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 774' ' ' PRO . 0.0 OUTLIER -105.14 105.75 53.01 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.191 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 773' ' ' ILE . 86.5 Cg_exo . . . . . 0 N--CA 1.493 1.479 0 C-N-CA 122.281 1.987 . . . . 0.0 112.252 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1502 ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 39.4 t80 -46.07 -37.67 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.02 -28.88 7.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.362 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1505 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1502 ' ' ALA . 1.3 m-20 -50.87 -36.08 36.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -65.66 -49.45 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.78 -40.92 76.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.675 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 64.9 t -60.8 -50.4 80.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.594 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.77 -41.68 91.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.41 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.43 -53.1 60.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.268 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 27.9 t60 -40.44 -43.69 1.86 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.467 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.1 -68.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -43.19 -51.24 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 13.8 mt -50.48 -36.79 35.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1515 ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.32 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.497 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.5 m -47.67 -68.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1517 ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' 1517 ' ' LEU . 4.1 mm? -60.7 150.52 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.267 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1518 ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' 1519 ' ' GLU . 34.3 ptt-85 -169.33 37.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' 1518 ' ' ARG . 21.1 mt-10 -47.43 174.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.266 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' 1522 ' ' ILE . 19.2 mmt85 -101.6 173.46 6.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1521 ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' 1520 ' ' ARG . 4.9 m-70 71.01 -13.79 0.49 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.687 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.504 ' H ' ' C ' ' A' 1520 ' ' ARG . 5.5 pt -97.51 -38.4 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.345 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.24 -47.98 71.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.394 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1524 ' ' GLN . . . . . 0.516 ' CD ' ' H ' ' A' 1524 ' ' GLN . 0.0 OUTLIER -61.91 -15.36 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -104.51 -0.77 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.63 -44.88 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.258 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.8 t -69.06 -47.8 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.6 t30 -65.23 -46.39 80.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 6.8 tp -48.73 -41.28 31.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.454 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.4 mp -76.45 -32.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -52.7 -35.63 55.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.44 -32.55 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.588 ' HG1' ' N ' ' A' 1534 ' ' GLY . 32.5 p -58.57 -113.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 110.726 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.588 ' N ' ' HG1' ' A' 1533 ' ' THR . . . 163.62 2.91 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.91 59.88 0.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.5 p90 -145.74 136.0 23.9 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.527 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 76.1 t60 -94.72 132.94 38.94 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.1 mm -109.82 143.48 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -151.5 147.02 26.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.94 5.38 3.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.622 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 63.6 p -138.14 -2.8 1.82 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1539 ' ' THR . 4.7 t -173.99 156.9 2.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.135 0.493 . . . . 0.0 110.306 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.04 128.37 5.49 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1544 ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 2.2 p30 -137.55 -171.24 2.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.342 0.591 . . . . 0.0 110.899 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 3.5 p90 -163.88 163.91 23.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.904 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1546 ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' 1546 ' ' ASP . 1.6 m-20 -103.42 99.9 9.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.719 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 73.3 mt -71.0 -14.38 62.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.398 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 10.0 m -77.24 8.5 3.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 5.1 m -126.94 -45.77 1.57 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.77 142.31 50.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.543 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1551 ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' 1551 ' ' ASP . 1.1 m-20 -48.98 159.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.268 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1552 ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' 1552 ' ' LYS . 0.0 OUTLIER -73.64 -11.66 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 80.4 p -69.15 -50.79 44.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.0 m -53.73 -47.16 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.055 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 41.7 t -60.22 -34.18 56.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.014 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1556 ' ' ARG . . . . . 0.44 ' O ' ' OG ' ' A' 1560 ' ' SER . 0.0 OUTLIER -67.18 -35.65 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.3 -55.81 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.036 0.445 . . . . 0.0 110.833 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 53.3 mt -49.2 -57.87 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.687 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -46.89 -42.88 18.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.352 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1560 ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.4 m -53.55 -68.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.9 OUTLIER -52.27 -38.2 57.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.5 -20.6 47.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.53 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.673 0.273 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.49 134.85 41.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' MET . . . . . 0.437 ' O ' ' NZ ' ' A' ' 764' ' ' LYS . 32.4 mtt -126.96 151.16 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.8 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 93.8 t -99.29 122.16 50.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -128.81 125.41 37.69 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 110.159 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.93 115.09 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 12.5 m -46.79 114.1 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . 0.569 ' C ' ' H ' ' A' ' 769' ' ' LEU . 0.7 OUTLIER -53.7 -31.41 47.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.92 1.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' A' ' 767' ' ' LEU . 44.3 mt -120.55 19.63 11.93 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.48 165.17 23.22 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.022 0.439 . . . . 0.0 110.087 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 28.7 t -113.62 -92.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.59 146.89 54.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.768 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 773' ' ' ILE . 0.0 OUTLIER -119.06 147.28 42.32 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 N--CA 1.494 1.521 0 C-N-CA 122.571 2.181 . . . . 0.0 112.344 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -86.13 -25.06 25.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.628 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.76 -54.03 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -51.48 -27.55 10.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.26 -59.43 3.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 58.0 mt -50.12 -37.66 35.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 76.4 t -57.78 -55.19 23.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.03 -40.92 82.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.83 -53.18 59.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.901 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -42.01 -44.2 3.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -66.97 0.45 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.128 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -44.19 -47.47 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.28 -37.68 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.963 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1515 ' ' MET . . . . . . . . . . . . . 45.9 tpp -63.1 -53.73 48.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.7 m -86.12 52.76 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.457 . . . . 0.0 110.673 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.2 tp -162.99 151.74 14.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1518 ' ' ARG . . . . . 0.648 ' C ' ' H ' ' A' 1520 ' ' ARG . 18.9 ptt180 -164.5 -52.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' 1520 ' ' ARG . 39.3 mm-40 59.52 -9.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' 1518 ' ' ARG . 8.6 tpt180 56.02 158.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.215 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 27.0 t60 73.16 -17.01 0.44 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.528 ' H ' ' C ' ' A' 1520 ' ' ARG . 4.0 mt -95.11 -31.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.467 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 19.1 mt -49.76 -36.8 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -70.09 -15.25 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1522 ' ' ILE . 69.0 mt-30 -96.79 -10.12 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.87 -51.65 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.206 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.5 t -53.34 -44.52 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.991 0.424 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1528 ' ' ASN . . . . . 0.617 HD21 ' N ' ' A' 1528 ' ' ASN . 1.0 OUTLIER -63.46 -54.2 40.16 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.12 -48.85 4.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.465 ' O ' ' OG1' ' A' 1533 ' ' THR . 38.9 mm -71.24 -31.22 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.33 -35.08 62.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.403 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 1.3 mp0 -67.93 -34.78 77.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.545 ' HG1' ' N ' ' A' 1534 ' ' GLY . 34.3 p -56.68 -116.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.545 ' N ' ' HG1' ' A' 1533 ' ' THR . . . 175.65 -43.63 0.12 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 75.0 m80 -75.93 61.08 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.98 136.45 24.03 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.57 134.34 49.85 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.93 141.68 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -144.99 143.34 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.753 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.58 3.54 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 68.3 p -132.0 -9.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.6 t -172.35 161.15 5.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1543 ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -158.53 130.96 6.94 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.14 -171.17 2.96 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.177 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.21 165.75 15.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.97 116.84 30.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.71 -4.13 59.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 16.5 p -81.61 8.76 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.528 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 32.6 p -128.88 -33.16 2.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 110.67 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.46 138.7 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -42.64 156.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.466 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 14.7 pttp -74.21 -13.03 60.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 110.715 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 66.4 p -70.09 -47.99 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.5 m -51.9 -44.68 63.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.6 t -68.03 -37.5 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -60.19 -43.43 95.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.12 -45.06 90.25 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.395 0.617 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 64.5 mt -54.68 -58.29 8.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.186 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.98 -40.27 10.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.11 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.6 t -52.09 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.829 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -46.74 -36.63 7.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1562 ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 4.6 mt -60.09 -50.2 74.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.202 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.961 -179.663 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 24.0 p . . . . . 0 CA--C 1.524 -0.055 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . 0.504 ' N ' ' OG ' ' A' ' 760' ' ' SER . 5.2 mp -130.13 134.21 47.17 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 4.0 mmt -127.1 155.81 42.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.101 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.26 120.12 50.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 764' ' ' LYS . 5.3 ttpm? -129.44 125.91 37.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 16.4 mm -105.64 111.95 37.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.63 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.0 m -48.96 117.57 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . 0.553 ' C ' ' H ' ' A' ' 769' ' ' LEU . 1.1 tp -51.26 -47.09 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.744 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.8 OUTLIER -52.05 -8.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' A' ' 767' ' ' LEU . 63.7 mt -120.91 33.72 5.47 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.978 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 771' ' ' SER . 2.2 tp -119.49 -46.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 772' ' ' ARG . 2.6 p 84.41 -65.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' OG ' ' A' ' 771' ' ' SER . 58.7 mtm180 -105.91 123.52 48.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.656 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 123.52 34.86 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.395 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 N--CA 1.493 1.47 0 C-N-CA 122.12 1.88 . . . . 0.0 112.451 -179.774 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.886 0.375 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -51.0 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 4.4 pp -41.13 -28.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -51.87 -46.33 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1506 ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' 1506 ' ' GLU . 3.6 mp0 -71.26 -56.97 4.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.37 -50.76 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.716 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 45.9 t -63.46 -42.99 98.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.512 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.39 -36.92 83.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.027 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1510 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.9 mp -63.65 -55.02 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.291 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1511 ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' 1510 ' ' LEU . 33.0 t60 -39.46 -44.29 1.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.331 0.586 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' 1514 ' ' LEU . 7.0 tpt180 -64.14 -70.63 0.21 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.63 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -45.7 -19.73 0.06 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.319 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' 1512 ' ' ARG . 1.3 mm? -77.08 -34.45 56.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' 1512 ' ' ARG . 24.8 mtp -67.66 -68.63 0.37 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.1 t -39.6 -32.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.7 tp -70.63 117.56 12.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -82.27 -11.48 58.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.696 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 60.93 152.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.532 ' C ' ' H ' ' A' 1522 ' ' ILE . 20.7 ttp-105 -169.74 113.3 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.375 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 5.2 t60 68.85 -12.32 0.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' 1520 ' ' ARG . 13.1 pt -103.14 -26.32 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.146 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.4 -36.01 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -76.78 -13.79 59.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1525 ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' 1522 ' ' ILE . 4.0 tp-100 -92.0 -19.28 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.51 -57.31 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 67.3 t -51.71 -40.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.654 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -64.0 -41.17 97.57 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 7.8 tp -59.08 -25.87 64.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.817 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' ILE . . . . . 0.52 ' O ' ' OG1' ' A' 1533 ' ' THR . 29.8 mm -92.4 -34.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 110.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -50.19 -40.26 46.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.47 -30.93 71.61 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1533 ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' 1530 ' ' ILE . 43.0 p -60.35 -93.5 0.0 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.5 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 144.95 7.63 0.42 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 12.2 m80 -121.94 59.59 0.99 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 13.1 p90 -142.51 133.15 25.29 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.116 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -92.27 132.35 36.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.2 mm -109.97 144.71 17.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.1 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -152.66 141.68 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 14.9 p30 -68.2 3.1 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.725 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 38.3 p -133.4 -8.56 2.91 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 0.0 OUTLIER -170.84 161.52 7.22 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.025 0.441 . . . . 0.0 110.201 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1543 ' ' PHE . . . . . 0.428 ' O ' ' CD1' ' A' 1543 ' ' PHE . 0.0 OUTLIER -159.25 130.83 6.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.4 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.4 -173.34 3.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 27.0 p90 -166.77 164.04 16.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.603 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1546 ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' 1546 ' ' ASP . 19.0 p-10 -118.31 118.12 30.93 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.507 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.77 -1.59 57.37 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.195 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 84.7 m -77.42 8.56 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 9.4 p -130.01 -28.37 2.18 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.642 0.258 . . . . 0.0 110.651 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.05 144.83 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.23 156.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 47.9 mttm -66.37 -16.94 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.65 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 19.5 p -70.56 -45.82 64.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 9.8 m -51.46 -44.05 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.111 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 15.8 t -68.37 -37.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -60.82 -40.44 92.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.25 -46.78 79.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 8.9 mt -53.79 -63.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -45.53 -42.48 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.004 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 2.1 t -48.84 -70.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' 1561 ' ' TYR . 1.1 m-85 -53.8 -34.6 59.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -69.17 0.29 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.99 0.424 . . . . 0.0 110.49 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.343 -179.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.28 135.94 35.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 30.4 mtp -127.53 117.09 21.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' 1544 ' ' ASP . 88.6 t -73.98 122.5 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.27 125.13 36.13 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.968 0.413 . . . . 0.0 110.437 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.16 116.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 1.3 m -44.44 142.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.063 0.458 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -49.38 74.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 770' ' ' LEU . 4.6 m-20 -49.73 -36.76 26.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.539 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.48 3.34 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 768' ' ' ASP . 17.7 mt -131.14 164.72 24.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.387 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 33.0 t -112.92 -67.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -73.99 152.72 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.48 112.87 17.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.31 -1.456 0 C-N-CA 122.534 2.156 . . . . 0.0 112.232 179.617 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.673 0.273 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.54 -33.08 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.47 -47.37 84.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -29.6 4.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.041 0.448 . . . . 0.0 110.776 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -68.91 -56.72 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 64.9 mt -50.61 -42.6 56.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 39.1 t -62.65 -48.48 87.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.73 -28.75 66.13 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1510 ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' 1511 ' ' HIS . 0.6 OUTLIER -67.5 -57.03 7.25 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1511 ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' 1510 ' ' LEU . 25.2 t-80 -35.89 -41.5 0.23 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.23 0.538 . . . . 0.0 110.42 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1512 ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' 1514 ' ' LEU . 27.1 ttp180 -66.65 -75.0 0.1 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.305 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1513 ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' 1516 ' ' THR . 50.2 mtp85 -45.79 -13.89 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1514 ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' 1512 ' ' ARG . 9.3 mt -84.8 -32.61 23.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.423 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1515 ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.9 ttm -66.68 -14.08 62.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.609 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1516 ' ' THR . . . . . 0.5 ' HG1' ' H ' ' A' 1517 ' ' LEU . 33.4 p -79.87 -90.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.598 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1517 ' ' LEU . . . . . 0.5 ' H ' ' HG1' ' A' 1516 ' ' THR . 0.2 OUTLIER 59.08 112.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -131.73 49.83 2.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.748 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1519 ' ' GLU . . . . . 0.412 ' H ' ' CD1' ' A' 1517 ' ' LEU . 67.0 mm-40 -136.71 -158.32 0.86 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.348 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1520 ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' 1522 ' ' ILE . 0.0 OUTLIER -145.29 159.7 42.64 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1521 ' ' HIS . . . . . 0.402 ' CG ' ' C ' ' A' 1520 ' ' ARG . 1.9 m-70 71.12 -2.57 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1522 ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' 1520 ' ' ARG . 3.9 mt -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.606 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.82 -41.34 61.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.45 -46.0 61.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.325 0.39 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -53.07 -38.75 62.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1526 ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' 1526 ' ' ILE . 95.0 mt -63.71 -6.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.032 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 12.5 t -104.12 -44.32 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.896 0.379 . . . . 0.0 110.355 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.21 -39.68 93.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.31 -40.25 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.606 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.23 -33.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 0.0 110.568 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -58.68 -27.49 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.067 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -82.37 -34.19 28.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1533 ' ' THR . . . . . . . . . . . . . 72.7 p -76.64 -99.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.55 . . . . 0.0 111.107 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 157.32 170.13 21.87 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 75.0 51.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.49 133.31 27.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 12.2 m170 -89.52 125.9 35.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.31 146.85 13.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.174 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.09 146.07 23.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 177.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1540 ' ' ASN . . . . . 0.481 ' N ' HD21 ' A' 1540 ' ' ASN . 0.9 OUTLIER -70.4 3.18 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.647 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 35.3 p -134.34 -10.79 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.148 0.28 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1542 ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -166.79 158.09 12.56 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.601 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.53 125.28 3.74 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1544 ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 1.2 p30 -134.9 -168.8 2.23 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 4.3 p90 -170.72 167.8 7.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.413 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -120.17 99.23 6.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1547 ' ' LEU . . . . . 0.53 ' C ' ' H ' ' A' 1549 ' ' SER . 0.6 OUTLIER -67.89 -4.71 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 71.9 m -67.81 8.55 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.6 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1549 ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' 1547 ' ' LEU . 17.8 p -144.05 -37.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 53.3 mt -50.74 139.17 17.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' ASP . . . . . 0.468 ' CG ' ' HG1' ' A' 1553 ' ' THR . 25.6 t0 -42.38 142.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1552 ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' 1551 ' ' ASP . 30.5 mtmt -65.92 -21.15 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1553 ' ' THR . . . . . 0.468 ' HG1' ' CG ' ' A' 1551 ' ' ASP . 28.9 p -65.6 -54.26 30.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.7 m -48.45 -49.16 36.48 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.002 0.43 . . . . 0.0 110.207 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.5 t -58.85 -41.39 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.116 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.4 -43.19 67.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 50.4 mttm -58.51 -46.73 86.12 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.204 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 65.5 mt -49.49 -66.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.761 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -44.9 -48.04 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.509 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 4.0 t -42.08 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1561 ' ' TYR . . . . . 0.593 ' CD1' ' C ' ' A' 1561 ' ' TYR . 0.3 OUTLIER -54.13 -29.75 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.2 0.524 . . . . 0.0 111.236 -178.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -72.83 0.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.474 -179.496 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 55.83 32.48 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.726 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.1 OUTLIER -81.5 -41.41 1.07 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.69 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 57.0 Cg_endo -86.09 -53.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.479 2.119 . . . . 0.0 112.129 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.52 92.16 27.49 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -48.77 -61.2 0.62 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.544 2.163 . . . . 0.0 111.905 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 30.0 tp -171.86 118.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.552 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -81.16 162.52 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.454 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.99 -59.83 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 41.7 p -129.06 128.46 43.61 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.51 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 748' ' ' LEU . 3.7 mm? -77.44 123.24 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.624 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 749' ' ' LEU . 10.2 mp -78.15 -175.74 4.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.253 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.426 ' H ' ' HG ' ' A' ' 750' ' ' SER . 0.0 OUTLIER -48.43 164.01 0.29 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.316 -179.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.12 107.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.678 2.252 . . . . 0.0 111.881 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.19 103.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.624 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -76.48 159.77 30.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.59 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 755' ' ' THR . 1.0 OUTLIER -82.56 120.43 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 754' ' ' ASP . 0.0 OUTLIER 31.09 69.24 0.72 Allowed Pre-proline 0 N--CA 1.469 0.496 0 O-C-N 123.73 0.644 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.12 161.35 38.56 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.32 2.013 . . . . 0.0 112.336 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -38.59 155.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.377 2.051 . . . . 0.0 112.179 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.26 -164.46 0.16 Allowed 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.678 2.252 . . . . 0.0 111.694 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -142.69 125.64 16.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.095 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' SER . . . . . 0.434 ' HG ' ' H ' ' A' ' 761' ' ' LEU . 70.3 p -150.32 -124.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.555 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . 0.434 ' H ' ' HG ' ' A' ' 760' ' ' SER . 4.7 mp -131.19 136.35 48.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.498 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 48.3 mtp -127.55 155.49 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.066 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 72.5 t -103.14 122.53 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -127.31 124.12 37.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 766' ' ' THR . 53.4 mt -106.99 117.23 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.21 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 765' ' ' ILE . 10.2 t -35.14 134.24 0.27 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 123.487 0.492 . . . . 0.0 110.76 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -17.52 57.27 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.547 -178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.51 -56.47 5.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.54 37.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.335 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.6 OUTLIER -112.86 -51.76 2.82 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 3.0 p 84.42 -56.32 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.684 0.278 . . . . 0.0 110.911 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . 0.53 ' CZ ' ' NE2' ' A' 1524 ' ' GLN . 58.8 mtt180 -86.26 132.66 33.94 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.661 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.9 mp -128.88 97.41 26.93 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -46.0 135.21 14.44 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.519 2.146 . . . . 0.0 112.367 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.27 150.3 72.61 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.468 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.18 162.23 41.11 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.392 2.062 . . . . 0.0 112.397 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.3 165.24 29.42 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.726 2.284 . . . . 0.0 111.696 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -88.23 -91.91 1.07 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -80.84 149.38 67.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' 1001 ' ' MET . 77.0 Cg_exo -39.27 -65.15 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.461 2.107 . . . . 0.0 112.305 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1001 ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' 1000 ' ' PRO . 31.5 mtt 56.02 113.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -157.72 106.6 0.29 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 13.9 m -67.19 -161.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.354 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 24.7 t0 -162.89 -6.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -61.07 -69.42 0.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 13.1 mm100 54.93 82.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 13.0 mm -60.42 129.9 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -70.52 99.64 1.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -71.82 -166.9 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -162.59 58.47 0.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1498 ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' 1499 ' ' CYS . 7.6 pt-20 -47.24 -40.13 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.722 0.296 . . . . 0.0 110.445 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1499 ' ' CYS . . . . . 0.53 ' SG ' ' N ' ' A' 1500 ' ' ASP . 41.6 t 55.48 163.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.436 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1500 ' ' ASP . . . . . 0.53 ' N ' ' SG ' ' A' 1499 ' ' CYS . 3.6 m-20 -85.92 123.03 30.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.329 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 66.3 mttm -141.57 -103.67 0.14 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1502 ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' 1504 ' ' LEU . . . -165.53 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.0 t80 -39.48 -27.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.013 0.435 . . . . 0.0 110.961 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1504 ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' 1502 ' ' ALA . 18.6 mt -53.64 -37.11 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.33 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1505 ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' 1506 ' ' GLU . 26.7 p-10 -46.58 -47.48 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1506 ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' 1505 ' ' ASP . 33.4 tt0 -55.81 -60.74 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.607 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1507 ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' 1511 ' ' HIS . 12.9 mt -51.04 -47.25 61.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 79.6 t -55.37 -56.14 13.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.297 0.57 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1509 ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' 1512 ' ' ARG . 25.7 tp10 -53.67 -44.68 69.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.413 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.8 tp -47.59 -61.81 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' 1507 ' ' LEU . 2.3 m-70 -38.99 -41.26 0.75 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.786 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' 1509 ' ' GLU . 13.6 mtm180 -64.86 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.417 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -41.19 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' 1512 ' ' ARG . 4.7 mt -75.23 -36.65 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.344 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 1512 ' ' ARG . 13.4 mtp -65.51 -30.8 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.1 m -91.66 46.94 1.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.621 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.01 130.81 56.93 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -154.36 67.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1520 ' ' ARG . 29.2 mt-10 -133.38 -6.08 2.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.53 ' C ' ' H ' ' A' 1522 ' ' ILE . 47.9 mtm180 48.64 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 37.5 t-80 72.89 -33.47 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.53 ' H ' ' C ' ' A' 1520 ' ' ARG . 45.3 mt -84.59 -41.47 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.79 -34.16 3.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1524 ' ' GLN . . . . . 0.53 ' NE2' ' CZ ' ' A' ' 772' ' ' ARG . 12.8 tt0 -66.83 -25.46 66.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.69 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1525 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1522 ' ' ILE . 56.4 mm-40 -90.02 -4.6 57.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 98.9 mt -105.32 -25.78 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.463 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -90.95 -47.64 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 26.6 tp -51.53 -49.91 61.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.635 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.493 ' N ' ' CD1' ' A' 1530 ' ' ILE . 1.4 mp -74.52 -38.14 45.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.186 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -41.1 -47.47 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.744 0.307 . . . . 0.0 110.848 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.38 -21.98 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' 1534 ' ' GLY . 0.0 OUTLIER -128.99 106.99 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . -47.37 178.04 0.01 OUTLIER Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1535 ' ' HIS . . . . . 0.735 ' HE2' ' HG ' ' A' 1549 ' ' SER . 53.8 t60 111.12 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.47 0.708 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 55.4 p90 -139.88 134.53 31.78 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 31.6 m80 -89.22 125.77 35.22 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.5 tp -108.77 148.93 12.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.084 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.59 146.18 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.017 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.65 3.72 2.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1541 ' ' THR . . . . . 0.421 ' O ' ' OG1' ' A' 1542 ' ' THR . 77.7 p -138.91 -5.1 1.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.403 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 87.8 m -168.41 156.56 8.38 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.98 125.86 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1544 ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' 1544 ' ' ASP . 9.6 p-10 -135.34 -170.93 2.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.23 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -174.3 173.6 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.347 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -114.41 118.85 35.0 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.081 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1547 ' ' LEU . . . . . 0.412 ' H ' HD12 ' A' 1547 ' ' LEU . 0.1 OUTLIER -87.92 -10.23 51.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 11.7 p -92.23 7.85 40.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.735 ' HG ' ' HE2' ' A' 1535 ' ' HIS . 49.5 m -106.53 -51.89 2.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.493 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.65 165.85 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.25 154.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.534 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -70.92 -16.49 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.663 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 41.4 p -66.9 -42.01 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 24.6 m -56.91 -35.62 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.534 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.2 t -71.09 -38.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.791 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.94 -54.31 27.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.44 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 61.7 mt -49.55 -59.78 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -41.97 15.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.9 t -52.87 -66.5 0.37 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.845 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.523 ' C ' ' H ' ' A' 1563 ' ' GLU . 1.4 m-85 -53.32 -36.84 61.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.67 -1.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1563 ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' 1561 ' ' TYR . 43.1 mt-10 -140.94 67.15 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.34 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 2.4 p -76.28 -36.59 58.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.142 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 62.8 p -59.14 -91.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 160.24 73.28 0.02 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 68.8 p -50.19 175.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.532 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 24.3 mtm105 -51.25 154.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 5.6 tp 48.93 70.66 1.95 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.8 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.87 165.7 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.709 2.272 . . . . 0.0 112.265 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.401 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 11.9 mt 47.47 57.18 17.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 40.4 Cg_endo -68.11 -164.57 0.1 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.722 2.281 . . . . 0.0 111.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 18.8 tp -149.59 -65.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -76.88 170.77 15.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 745' ' ' ASP . 17.0 p-10 -166.63 116.96 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 47.3 p -76.42 -115.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -140.08 74.59 1.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 748' ' ' LEU . 8.7 mp -78.5 -85.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.403 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.424 ' C ' ' OG ' ' A' ' 750' ' ' SER . 1.5 tt -171.58 84.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.149 0.5 . . . . 0.0 110.508 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.0 OUTLIER 179.74 -46.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.305 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 750' ' ' SER . 37.2 Cg_exo -56.23 114.42 1.89 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.609 2.206 . . . . 0.0 112.259 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 10.3 mt 52.56 67.8 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.514 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -98.51 7.93 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 755' ' ' THR . 43.9 t0 -149.94 82.38 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.678 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 754' ' ' ASP . 2.6 p 58.3 146.52 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.774 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.36 162.37 42.63 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.377 2.051 . . . . 0.0 112.245 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -39.21 102.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 122.841 2.36 . . . . 0.0 111.968 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -48.02 127.61 15.15 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.494 2.129 . . . . 0.0 112.254 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -138.06 55.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 8.0 t -154.87 -133.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.277 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.7 128.72 39.57 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.83 117.6 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.687 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.96 121.9 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.986 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 127.42 38.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.122 0.487 . . . . 0.0 110.58 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 765' ' ' ILE . 2.7 mp -106.55 114.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 58.9 m -48.18 161.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -87.19 -43.36 12.29 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.78 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -51.66 -20.47 2.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 32.7 mt -100.16 10.51 41.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 110.833 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 16.0 mt -114.93 145.55 42.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 0.0 110.394 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 15.8 m -108.61 -20.6 13.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.546 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -127.09 139.86 52.69 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.178 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.53 108.39 20.91 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -45.0 131.41 10.74 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -75.35 146.12 80.79 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 777' ' ' PRO . 36.2 Cg_endo -65.1 112.73 2.14 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.71 2.273 . . . . 0.0 112.167 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 776' ' ' PRO . 52.6 Cg_exo -48.18 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.474 2.116 . . . . 0.0 112.348 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -53.6 -73.0 0.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' 1000 ' ' PRO . 5.7 ptmm? -158.85 77.59 3.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.457 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1000 ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 779' ' ' LYS . 50.0 Cg_exo -51.23 -167.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.636 2.224 . . . . 0.0 112.062 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 8.9 tpt -150.73 -44.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 82.74 113.02 0.48 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 84.6 p -77.07 160.48 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.51 168.94 10.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.519 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 52.1 tttm -78.66 112.96 16.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -133.69 -174.63 3.57 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 67.7 mt 48.78 84.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -73.22 101.59 3.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 9.2 m120 -75.44 -29.43 59.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 77.08 -166.2 53.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.68 154.67 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 110.453 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1499 ' ' CYS . . . . . 0.595 ' C ' ' H ' ' A' 1501 ' ' LYS . 20.2 t -133.92 108.79 8.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.249 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1500 ' ' ASP . . . . . 0.568 ' C ' ' H ' ' A' 1502 ' ' ALA . 6.3 t0 69.43 -21.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.448 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.595 ' H ' ' C ' ' A' 1499 ' ' CYS . 0.8 OUTLIER 69.63 -35.25 0.31 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1502 ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' 1500 ' ' ASP . . . -88.67 -13.74 39.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.37 -30.1 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 39.9 mt -54.82 -32.76 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -46.92 -44.55 19.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.511 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.42 -52.66 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 6.9 mt -47.93 -49.83 28.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 75.6 t -57.67 -52.4 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.378 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -14.91 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.25 -44.32 21.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -53.79 -40.29 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.107 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' 1515 ' ' MET . 53.3 ttp180 -65.7 -70.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.919 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -37.92 -29.91 0.03 OUTLIER 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1516 ' ' THR . 14.2 mt -80.21 -39.03 29.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.6 ttm -60.82 76.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.644 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1516 ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' 1514 ' ' LEU . 16.7 p 55.84 83.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.86 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.695 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -153.04 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.462 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.036 0.446 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 54.44 42.77 31.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -150.93 6.11 0.51 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 14.6 pt -103.67 -4.47 9.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 110.334 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' 1525 ' ' GLN . 30.5 mt -63.4 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.81 -6.08 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1525 ' ' GLN . . . . . 0.434 ' H ' ' C ' ' A' 1523 ' ' LEU . 32.9 mt-30 -107.66 -25.73 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 87.2 mt -79.02 -44.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.741 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.5 t -56.95 -44.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.109 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.06 -36.8 84.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.67 -48.52 77.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.49 -36.06 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -55.73 -26.72 46.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.1 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.07 -39.23 19.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.223 0.535 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' 1534 ' ' GLY . 78.5 p -69.53 -80.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.759 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . 136.14 168.82 11.6 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1535 ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' 1534 ' ' GLY . 2.1 t-160 77.99 52.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.473 -0.428 . . . . 0.0 110.805 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -143.4 135.85 27.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -89.7 128.26 36.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.41 146.97 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.583 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -153.54 143.41 21.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 109.902 178.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.88 3.44 1.98 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1541 ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' 1539 ' ' THR . 3.0 p -134.7 -10.57 2.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.9 t -167.35 156.63 10.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.266 0.555 . . . . 0.0 110.61 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1543 ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' 1543 ' ' PHE . 0.0 OUTLIER -157.68 125.53 5.34 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 3.7 p30 -135.66 -168.76 2.26 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -170.2 166.76 8.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.377 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1546 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1546 ' ' ASP . 0.6 OUTLIER -112.27 109.51 19.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.371 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 7.3 mt -78.37 -6.05 54.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.061 0.458 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 27.6 p -76.09 8.49 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 41.0 t -134.43 -36.04 0.89 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.88 142.14 58.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -46.9 153.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -12.3 60.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.548 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 61.3 p -67.4 -51.45 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.9 m -53.04 -44.44 67.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.368 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 12.3 t -66.13 -41.1 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.677 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -63.02 -39.08 93.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 110.694 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.36 -44.75 74.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.974 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.05 -68.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.48 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -43.55 -39.19 3.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.234 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1560 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1564 ' ' THR . 1.2 t -48.5 -57.23 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1561 ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 -34.67 76.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 97.1 mt -60.03 -10.73 4.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -175.43 47.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1564 ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' 1560 ' ' SER . 5.1 t -66.41 -18.24 65.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1565 ' ' SER . . . . . 0.429 ' HG ' ' H ' ' A' 1566 ' ' GLY . 5.2 t 60.04 -153.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1566 ' ' GLY . . . . . 0.429 ' H ' ' HG ' ' A' 1565 ' ' SER . . . -75.58 87.33 0.83 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 89.8 m -63.91 -82.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.861 0.362 . . . . 0.0 110.558 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.629 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.54 102.58 5.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.6 70.98 17.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.74 -71.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.949 2.432 . . . . 0.0 111.828 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 0.6 OUTLIER -98.31 -44.46 0.24 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 47.0 Cg_exo -54.55 106.67 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.331 2.021 . . . . 0.0 111.908 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 1.6 tt -158.12 -61.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.41 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -69.71 -28.28 65.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -66.8 91.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.646 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.82 9.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -140.09 112.74 7.98 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.96 0.409 . . . . 0.0 110.602 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 748' ' ' LEU . 8.3 mp -78.02 -13.88 59.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.64 -138.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.543 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.0 OUTLIER -177.33 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.206 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 750' ' ' SER . 40.9 Cg_exo -55.73 144.83 74.53 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.518 2.145 . . . . 0.0 111.765 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 71.29 96.62 0.07 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -143.84 -4.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.555 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -155.62 163.81 39.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 9.2 m 59.17 72.56 0.79 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.53 161.31 31.35 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.412 2.074 . . . . 0.0 112.34 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.91 149.45 0.76 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.376 2.051 . . . . 0.0 112.539 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.0 7.2 2.56 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.594 2.196 . . . . 0.0 111.977 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 58.76 -101.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.423 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 23.3 t 44.45 -138.19 0.4 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.512 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.7 mp -133.59 135.31 44.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.289 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 60.9 mtp -128.35 119.63 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.704 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.66 122.25 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.75 124.86 36.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.19 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 71.2 mt -106.27 114.19 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 4.7 m -45.57 148.47 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' A' ' 769' ' ' LEU . 4.0 mm? -83.15 -33.53 26.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.9 OUTLIER -57.31 -5.58 0.32 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . 0.497 ' H ' ' C ' ' A' ' 767' ' ' LEU . 48.7 mt -117.23 15.93 14.89 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 6.3 mt -123.87 156.74 35.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 50.5 m -112.61 -64.57 1.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.725 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -91.69 133.51 35.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.86 129.41 24.03 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.84 145.21 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.551 2.168 . . . . 0.0 112.346 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -64.04 141.16 98.02 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.253 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.04 107.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 122.561 2.174 . . . . 0.0 112.338 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.8 123.53 6.39 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.57 2.18 . . . . 0.0 111.855 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -74.44 115.86 4.97 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 40.1 tttp 42.37 79.64 0.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.522 0.201 . . . . 0.0 110.927 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1000 ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' 1001 ' ' MET . 60.1 Cg_endo -78.16 27.97 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.564 2.176 . . . . 0.0 112.05 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1001 ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' 1000 ' ' PRO . 7.9 ptm 31.1 -121.94 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.544 0.528 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 77.65 53.46 5.01 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 24.3 p -77.56 175.81 9.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.655 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -70.82 -177.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.281 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 57.3 mttm -114.41 10.64 17.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 24.7 mm100 54.31 -103.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 20.1 tt -48.8 160.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.342 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' LYS . . . . . 0.646 ' CG ' ' H ' ' A' 1496 ' ' ASN . 7.0 ptmt -147.67 -69.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.754 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1496 ' ' ASN . . . . . 0.646 ' H ' ' CG ' ' A' 1495 ' ' LYS . 14.6 t-20 49.36 104.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 71.04 107.39 0.04 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1498 ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' 1499 ' ' CYS . 13.4 pt-20 -81.43 -5.06 57.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1499 ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' 1498 ' ' GLU . 55.5 m 56.64 114.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1500 ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' 1502 ' ' ALA . 1.0 OUTLIER -142.2 -72.55 0.32 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.48 ' H ' ' CG ' ' A' 1500 ' ' ASP . 3.3 ttmp? 54.33 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1502 ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' 1500 ' ' ASP . . . -160.63 -11.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 51.5 t80 -50.72 -41.62 56.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.37 -26.43 7.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -49.85 -39.12 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -69.76 -60.34 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 55.6 mt -48.3 -47.63 36.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 54.9 t -57.13 -59.22 3.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.04 -29.06 67.0 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.805 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.72 -53.14 29.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -40.6 -43.7 1.96 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.38 0.609 . . . . 0.0 110.275 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' 1515 ' ' MET . 41.4 ttt85 -64.89 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -42.11 -26.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' 1512 ' ' ARG . 31.6 mt -76.03 -35.57 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' 1512 ' ' ARG . 6.4 mmt -64.04 -14.64 55.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.343 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 5.1 m -64.32 -44.35 91.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.291 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 24.8 tp 58.06 -97.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 54.55 52.03 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -169.3 177.61 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.557 ' O ' ' CG ' ' A' 1521 ' ' HIS . 4.8 ptp180 -176.5 67.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1521 ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' 1520 ' ' ARG . 5.9 m80 -174.5 -17.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 8.0 mt -98.56 -22.01 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.161 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' 1525 ' ' GLN . 54.6 mt -52.38 -32.19 37.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1524 ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' 1528 ' ' ASN . 9.0 pt20 -60.52 -8.0 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.637 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1525 ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' 1523 ' ' LEU . 57.2 mt-30 -105.25 -42.36 5.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.59 -53.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 41.3 t -55.93 -44.07 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.983 0.42 . . . . 0.0 110.613 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1528 ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1524 ' ' GLN . 1.3 m-20 -62.67 -48.22 80.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.2 mp -48.37 -55.93 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.708 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.573 ' O ' ' OG1' ' A' 1533 ' ' THR . 20.5 mm -67.61 -38.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.314 0.578 . . . . 0.0 110.807 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -46.71 -39.85 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.686 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.31 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.678 ' HG1' ' H ' ' A' 1534 ' ' GLY . 53.4 p -59.81 -97.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.678 ' H ' ' HG1' ' A' 1533 ' ' THR . . . 145.9 6.21 0.41 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 23.1 m170 -120.78 59.73 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 20.5 p90 -142.35 133.29 25.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 19.6 m80 -90.45 129.13 36.67 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.4 146.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.225 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -153.65 144.82 22.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.89 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.38 1.92 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1541 ' ' THR . . . . . 0.438 ' O ' ' OG1' ' A' 1542 ' ' THR . 12.1 p -141.44 0.44 1.48 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' 1539 ' ' THR . 20.9 m -167.99 147.27 4.74 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-O 120.939 0.399 . . . . 0.0 110.661 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.11 120.1 4.03 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -136.09 -168.72 2.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.456 0.646 . . . . 0.0 110.793 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 9.6 p90 -173.06 171.78 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.403 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1546 ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' 1546 ' ' ASP . 14.0 p-10 -119.0 112.43 19.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.151 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1547 ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' 1547 ' ' LEU . 0.6 OUTLIER -79.52 -3.66 47.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.105 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 18.7 t -67.13 -12.9 61.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 70.1 m -104.19 -54.48 2.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.876 0.37 . . . . 0.0 110.648 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 19.7 mt -42.69 139.84 1.48 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -46.09 155.24 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.359 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -65.67 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.659 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 29.5 p -71.6 -31.93 67.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.376 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 8.8 m -57.67 -57.69 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 5.1 m -60.49 -39.32 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1556 ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' 1560 ' ' SER . 37.1 ttm180 -61.57 -42.9 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.23 0.538 . . . . 0.0 110.45 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -68.21 -47.25 68.39 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.42 0.629 . . . . 0.0 110.57 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.55 -61.25 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1559 ' ' GLN . . . . . 0.421 ' O ' ' OE2' ' A' 1563 ' ' GLU . 77.7 mt-30 -44.17 -38.19 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.147 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1560 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.3 m -53.51 -72.11 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -45.86 -37.89 6.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 110.404 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 3.0 mt -59.73 -47.66 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.826 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1563 ' ' GLU . . . . . 0.45 ' O ' ' OG1' ' A' 1564 ' ' THR . 0.5 OUTLIER -69.74 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.262 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1564 ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' 1563 ' ' GLU . 20.2 p 50.97 74.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.438 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 58.0 m -155.61 84.47 1.04 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 179.2 -32.5 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 76.0 p -60.57 169.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.509 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -155.59 88.96 1.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.3 OUTLIER -157.7 50.68 0.43 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 30.4 Cg_endo -62.62 145.65 95.24 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.699 2.266 . . . . 0.0 111.48 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 tp -150.11 60.15 4.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.349 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.95 -45.17 0.74 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.663 2.242 . . . . 0.0 111.962 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 744' ' ' ARG . 6.7 tp 43.88 89.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.566 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . 0.458 ' C ' ' H ' ' A' ' 746' ' ' THR . 17.6 mmt180 55.9 111.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -72.18 8.97 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' THR . . . . . 0.458 ' H ' ' C ' ' A' ' 744' ' ' ARG . 73.7 m -93.15 -80.8 0.37 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . 0.534 ' CB ' ' HZ3' ' A' ' 747' ' ' LYS . 4.1 mtmp? 52.99 97.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.92 96.95 4.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 18.4 mt -85.38 44.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 2.7 p -49.39 151.01 2.9 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.625 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.04 156.97 63.57 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.625 2.216 . . . . 0.0 111.656 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 753' ' ' ARG . 0.3 OUTLIER -103.73 73.62 1.19 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.954 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 752' ' ' LEU . 27.8 ttm180 54.09 104.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.52 132.93 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 7.1 p -97.28 148.95 35.16 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.656 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.18 116.25 3.92 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.154 1.903 . . . . 0.0 111.84 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.09 161.62 32.44 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.929 1.753 . . . . 0.0 112.172 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.84 -62.7 0.31 Allowed 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 122.813 2.342 . . . . 0.0 112.124 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 60.92 74.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.324 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 10.2 m -137.03 -127.23 0.14 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.46 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.42 133.63 46.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 53.7 mmm -127.23 118.18 23.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.68 125.19 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -127.23 124.77 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 765' ' ' ILE . 96.3 mt -107.21 117.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.1 m -37.15 102.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 5.7 tt -73.97 -7.74 53.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.099 -178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.83 -30.68 71.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 21.3 mt -112.49 31.09 6.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.326 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.45 ' CD2' ' H ' ' A' ' 771' ' ' SER . 1.0 OUTLIER -77.77 -38.85 45.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.52 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' SER . . . . . 0.45 ' H ' ' CD2' ' A' ' 770' ' ' LEU . 1.2 m 76.75 -76.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -81.51 124.8 29.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 2.3 mp -114.99 130.21 24.4 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.06 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.42 134.02 27.66 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.096 1.864 . . . . 0.0 111.495 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 775' ' ' GLN . 0.0 OUTLIER -51.54 140.49 26.31 Favored Pre-proline 0 N--CA 1.445 -0.718 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.572 -179.554 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . 0.447 ' N ' ' HD2' ' A' ' 777' ' ' PRO . 27.7 Cg_exo -47.37 -48.51 15.04 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.184 1.923 . . . . 0.0 112.676 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 776' ' ' PRO . 58.0 Cg_endo -70.76 177.2 6.53 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.95 1.767 . . . . 0.0 112.307 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 96.94 69.16 0.98 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -133.49 57.26 25.06 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.417 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.67 -164.59 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.736 2.291 . . . . 0.0 111.937 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 13.3 mmt -69.13 108.68 3.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -93.59 -77.13 1.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 75.8 m -77.59 175.08 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.534 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1491 ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' 1492 ' ' LYS . 22.8 t70 -170.78 106.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1492 ' ' LYS . . . . . 0.48 ' CD ' ' N ' ' A' 1492 ' ' LYS . 3.0 mptp? 57.48 143.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1493 ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' 1494 ' ' ILE . 0.3 OUTLIER -151.12 -36.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1494 ' ' ILE . . . . . 0.526 ' CD1' ' N ' ' A' 1494 ' ' ILE . 1.7 mp 55.51 111.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.219 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 49.4 mttp -68.17 -152.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' 1496 ' ' ASN . 6.9 p30 41.13 92.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.715 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 169.56 136.92 2.15 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 53.49 -174.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 59.8 m -150.13 -159.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -172.34 76.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.578 ' C ' ' H ' ' A' 1503 ' ' TYR . 66.9 mmtt -115.69 128.21 55.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . 71.17 -28.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1503 ' ' TYR . . . . . 0.578 ' H ' ' C ' ' A' 1501 ' ' LYS . 30.0 t80 -45.65 -41.3 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.727 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.96 -16.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1505 ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' 1503 ' ' TYR . 90.3 m-20 -56.71 -54.71 43.01 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.976 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.68 -33.87 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.721 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -45.27 80.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 48.8 t -57.48 -49.08 81.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 121.21 0.529 . . . . 0.0 109.79 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -58.12 -45.64 86.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.0 tp -49.0 -48.04 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.041 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' HIS . . . . . 0.409 ' O ' ' ND1' ' A' 1511 ' ' HIS . 1.5 t60 -49.9 -41.15 45.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' 1515 ' ' MET . 92.8 mtt180 -63.63 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.068 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -40.88 -29.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.32 -39.19 59.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.087 0.47 . . . . 0.0 110.685 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' 1512 ' ' ARG . 32.6 ttm -63.5 -48.6 76.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 4.3 m -82.51 49.02 1.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 111.161 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' 1517 ' ' LEU . 1.4 pp -49.4 177.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.552 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1518 ' ' ARG . . . . . 0.666 ' N ' ' NE ' ' A' 1518 ' ' ARG . 0.0 OUTLIER -165.97 25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.642 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -172.02 145.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.268 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.592 ' C ' ' H ' ' A' 1522 ' ' ILE . 1.5 mpt_? -100.68 -165.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 9.7 t-80 70.44 -21.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.592 ' H ' ' C ' ' A' 1520 ' ' ARG . 95.6 mt -87.83 -40.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.88 -37.97 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1524 ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 770' ' ' LEU . 3.2 mm100 -73.04 -28.25 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1525 ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' 1522 ' ' ILE . 79.7 mt-30 -78.0 -10.56 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.718 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1526 ' ' ILE . . . . . 0.421 HG22 HD12 ' A' 1526 ' ' ILE . 89.6 mt -99.79 -48.16 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.7 t -56.35 -45.66 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.944 0.402 . . . . 0.0 111.017 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -64.12 -49.65 71.35 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.976 0.417 . . . . 0.0 110.645 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 4.3 tp -48.77 -36.27 16.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.478 ' O ' ' OG1' ' A' 1533 ' ' THR . 46.4 mm -80.85 -28.04 11.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.032 0.444 . . . . 0.0 110.486 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -58.7 -29.2 66.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.093 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.82 -37.36 67.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' 1530 ' ' ILE . 64.7 p -54.1 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.449 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 156.51 -43.69 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -78.6 62.8 3.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.939 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -143.34 133.52 24.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -96.95 134.24 40.56 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.249 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -109.51 146.73 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' 1541 ' ' THR . 0.2 OUTLIER -152.64 142.71 22.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.154 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.9 5.13 1.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.738 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1541 ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' 1539 ' ' THR . 82.4 p -131.06 -15.8 3.28 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.412 ' HG1' ' H ' ' A' 1543 ' ' PHE . 1.4 t -167.57 162.82 14.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.223 0.535 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1543 ' ' PHE . . . . . 0.412 ' H ' ' HG1' ' A' 1542 ' ' THR . 0.0 OUTLIER -158.94 127.28 5.19 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1544 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1544 ' ' ASP . 35.4 p-10 -137.83 -169.47 2.56 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -170.09 169.39 8.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.516 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -110.81 107.39 16.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.11 -7.03 51.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 60.5 m -84.15 9.01 13.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.636 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.4 m -127.49 -24.62 3.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 14.2 mt -83.72 171.4 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.577 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.94 153.64 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.73 -11.4 60.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1553 ' ' THR . . . . . 0.474 ' HG1' ' N ' ' A' 1554 ' ' THR . 82.3 p -66.96 -52.43 42.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1554 ' ' THR . . . . . 0.474 ' N ' ' HG1' ' A' 1553 ' ' THR . 7.4 p -53.62 -38.41 64.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.052 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.5 t -69.27 -40.24 80.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.916 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -61.71 -38.44 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.6 -57.56 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -46.44 -56.83 5.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.025 0.44 . . . . 0.0 111.073 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1559 ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' 1559 ' ' GLN . 0.1 OUTLIER -48.37 -44.48 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.246 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 6.9 t -52.52 -72.26 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.971 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.4 OUTLIER -50.89 -36.85 40.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.31 -19.4 61.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.559 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -141.02 79.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 47.0 m -135.36 75.75 1.58 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.9 t -69.33 135.48 50.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 62.15 -160.69 30.73 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 31.1 m -76.69 -24.81 53.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.795 0.331 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.677 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.442 ' CG2' ' H ' ' A' ' 738' ' ' ARG . 2.7 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . 0.442 ' H ' ' CG2' ' A' ' 1' ' ' THR . 55.8 mtp85 43.09 63.17 1.58 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.354 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.03 145.65 99.01 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -38.51 155.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.153 0 C-N-CA 122.319 2.012 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.413 ' N ' ' HD2' ' A' ' 742' ' ' PRO . 0.8 OUTLIER 171.55 -52.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.186 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 744' ' ' ARG . 66.1 Cg_endo -75.73 128.19 10.74 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.776 1.651 . . . . 0.0 112.24 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 46.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 742' ' ' PRO . 0.0 OUTLIER 69.69 38.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.133 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -74.03 121.18 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 28.4 p -150.92 109.63 3.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 54.29 174.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.64 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 144.53 25.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.971 0.415 . . . . 0.0 109.96 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 751' ' ' PRO . 3.0 p -137.32 149.42 65.63 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 750' ' ' SER . 73.2 Cg_exo -40.24 168.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 122.574 2.183 . . . . 0.0 112.171 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.08 178.53 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.282 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -93.32 -57.57 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.507 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 755' ' ' THR . 31.8 t0 -55.53 150.35 12.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 754' ' ' ASP . 7.5 m -153.06 75.4 6.7 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.85 156.68 3.12 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.77 2.314 . . . . 0.0 112.198 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.51 121.66 8.41 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.068 1.846 . . . . 0.0 111.926 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -43.95 -44.8 11.89 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.274 1.983 . . . . 0.0 112.575 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . 0.527 ' CD ' ' H ' ' A' ' 759' ' ' GLN . 1.6 pm0 -97.54 169.02 10.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 761' ' ' LEU . 1.8 t -163.55 -89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . 0.467 ' N ' ' HG ' ' A' ' 760' ' ' SER . 0.1 OUTLIER -155.74 119.7 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.134 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.04 150.06 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.092 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 36.1 t -102.92 123.97 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -127.85 123.63 35.57 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.155 0.502 . . . . 0.0 109.738 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 766' ' ' THR . 56.5 mt -106.57 119.38 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.997 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 765' ' ' ILE . 0.2 OUTLIER -40.38 163.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 -179.364 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.35 -28.31 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.797 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 768' ' ' ASP . 0.4 OUTLIER -82.07 -32.31 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.8 -178.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 769' ' ' LEU . 3.6 mm? -78.43 -14.71 59.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.939 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.2 OUTLIER -79.58 -44.27 21.39 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.007 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' SER . . . . . 0.562 ' HG ' ' N ' ' A' ' 772' ' ' ARG . 4.3 p 86.52 -41.74 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.032 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' HG ' ' A' ' 771' ' ' SER . 4.9 tpt180 -116.59 154.36 30.62 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 773' ' ' ILE . 0.1 OUTLIER -129.54 108.04 17.33 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.778 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.22 131.73 22.62 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.259 1.973 . . . . 0.0 112.067 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -51.31 149.35 7.42 Favored Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.358 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.5 149.45 74.52 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.006 1.804 . . . . 0.0 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.81 163.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.4 2.067 . . . . 0.0 112.087 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -108.69 -87.99 1.93 Allowed Glycine 0 N--CA 1.466 0.69 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' A' 1000 ' ' PRO . 5.9 ttpm? -171.8 51.77 0.15 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.568 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1000 ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 779' ' ' LYS . 56.9 Cg_endo -69.85 -167.55 0.23 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.708 2.272 . . . . 0.0 111.935 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 24.6 ptm -82.31 134.98 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -80.13 -105.53 0.27 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 38.6 m 50.21 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.552 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -159.62 -53.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.55 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 62.9 mttm 54.16 103.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.478 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -172.28 146.2 1.82 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 12.5 pt -146.92 169.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 90.23 3.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.6 -49.94 15.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.481 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -168.49 -23.8 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -69.02 166.78 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.532 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 5.5 p -167.85 -107.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -165.19 53.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' 1503 ' ' TYR . 9.3 tptp -77.61 98.74 5.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1502 ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' 1504 ' ' LEU . . . 72.03 -36.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.632 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1503 ' ' TYR . . . . . 0.518 ' H ' ' C ' ' A' 1501 ' ' LYS . 35.8 t80 -42.21 -20.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 111.088 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1504 ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' 1502 ' ' ALA . 2.2 pp -68.87 -33.31 73.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.279 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1505 ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' 1506 ' ' GLU . 2.2 p30 -50.66 -43.83 57.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1506 ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' 1505 ' ' ASP . 36.4 tp10 -62.15 -49.38 76.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.57 -42.54 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.672 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 53.0 t -60.4 -51.33 74.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.23 0.538 . . . . 0.0 110.328 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.58 -46.68 86.43 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.474 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.4 tp -47.03 -63.97 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1511 ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' 1510 ' ' LEU . 4.3 t-80 -31.52 -40.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.593 0.558 . . . . 0.0 110.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.9 mtp85 -66.49 -72.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.651 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -40.5 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' 1512 ' ' ARG . 11.9 mt -84.24 -35.87 23.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' 1515 ' ' MET . 0.0 OUTLIER -64.33 78.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.703 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1516 ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' 1514 ' ' LEU . 3.9 m 50.45 83.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.621 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.25 -76.09 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.233 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -171.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -83.84 145.25 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -71.13 -151.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.411 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1521 ' ' HIS . . . . . 0.554 ' C ' ' H ' ' A' 1523 ' ' LEU . 26.9 m80 46.95 -172.87 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 17.5 mt 64.11 -41.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 123.339 0.399 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.554 ' H ' ' C ' ' A' 1521 ' ' HIS . 18.5 mt -51.7 -44.77 63.27 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -72.01 -37.04 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -69.3 -13.88 62.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 78.0 mt -102.68 -12.94 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 42.4 t -91.43 -50.09 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 110.337 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.24 -37.56 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 16.7 tp -51.67 -56.31 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.606 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.493 ' O ' ' OG1' ' A' 1533 ' ' THR . 5.9 mm -70.0 -41.38 79.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.086 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -38.48 -49.58 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.47 -15.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.839 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' 1530 ' ' ILE . 70.7 p -66.09 -27.36 68.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.555 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 80.2 21.42 65.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.61 74.33 1.51 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1536 ' ' PHE . . . . . 0.616 ' CZ ' ' CG ' ' A' 1545 ' ' PHE . 0.2 OUTLIER -138.7 127.46 23.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -95.54 124.74 39.71 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.53 148.41 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -148.57 142.38 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.35 0.88 3.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.02 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 24.4 p -126.11 -12.75 6.33 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -176.46 169.4 2.64 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 110.955 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -161.8 131.07 4.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -137.63 -172.53 3.25 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.206 0.527 . . . . 0.0 111.243 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1545 ' ' PHE . . . . . 0.616 ' CG ' ' CZ ' ' A' 1536 ' ' PHE . 1.9 p90 -167.45 164.29 14.97 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.49 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.65 118.01 31.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1547 ' ' LEU . . . . . 0.408 ' H ' HD13 ' A' 1547 ' ' LEU . 2.1 mp -87.51 -4.12 58.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.539 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 87.5 m -78.92 7.43 7.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.785 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 59.1 p -114.82 -17.48 11.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.705 0.288 . . . . 0.0 110.43 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 11.5 mt -89.37 167.46 13.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.614 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1551 ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' 1552 ' ' LYS . 14.7 t70 -74.06 173.41 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1552 ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' 1551 ' ' ASP . 0.0 OUTLIER -78.28 -15.23 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 -179.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 20.4 p -62.63 -47.45 83.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.392 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 41.2 m -56.65 -44.45 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 50.8 t -58.85 -39.39 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -60.98 -41.96 97.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -64.16 -44.24 92.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.4 -65.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -43.36 -41.6 4.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.31 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1560 ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' 1561 ' ' TYR . 1.4 p -52.8 -62.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.537 ' N ' ' OG ' ' A' 1560 ' ' SER . 4.8 m-85 -60.08 -38.38 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.142 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.95 -62.06 2.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' 1563 ' ' GLU . 1.4 mp0 -92.55 -96.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.99 0.424 . . . . 0.0 110.217 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.76 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.16 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 42.0 t -170.29 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1566 ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' 1568 ' ' SER . . . 155.02 142.41 3.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 91.8 m 55.54 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1568 ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' 1566 ' ' GLY . 72.9 m . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 55.4 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -52.27 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 36.4 mt -46.17 109.33 0.97 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.686 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.22 161.71 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.249 1.966 . . . . 0.0 112.34 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 17.8 tp 58.03 65.9 3.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.39 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.78 150.63 35.17 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.557 2.171 . . . . 0.0 111.954 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 743' ' ' LEU . 8.7 mp -58.52 -73.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.214 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -53.85 88.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.561 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 743' ' ' LEU . 46.7 m-20 -76.36 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 10.7 m -165.93 115.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . 0.514 ' C ' ' H ' ' A' ' 749' ' ' LEU . 74.6 mttt -145.18 -76.68 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 748' ' ' LEU . 3.9 mm? 50.28 11.38 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 747' ' ' LYS . 5.4 tp -79.95 144.15 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 751' ' ' PRO . 0.5 OUTLIER -169.44 -62.94 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.289 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 750' ' ' SER . 19.7 Cg_endo -58.15 -78.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.641 2.227 . . . . 0.0 111.972 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 751' ' ' PRO . 58.3 tp 56.47 116.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.399 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 -152.97 19.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.529 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 53.84 102.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 756' ' ' PRO . 0.1 OUTLIER -84.52 -45.18 0.72 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 755' ' ' THR . 65.2 Cg_exo -49.28 108.37 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.677 2.251 . . . . 0.0 112.148 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.65 156.49 1.16 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.339 2.026 . . . . 0.0 112.197 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.78 144.24 76.8 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.819 2.346 . . . . 0.0 111.909 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -160.07 40.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.428 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 17.0 m -164.47 -173.2 2.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.45 131.07 41.33 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 62.1 mtp -125.33 118.01 25.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.475 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.48 123.94 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.288 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -128.08 122.96 33.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 93.5 mt -106.61 118.63 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.947 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' A' ' 766' ' ' THR . 6.1 m -37.23 113.21 0.24 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.577 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.07 -40.67 64.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.078 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.98 -54.95 27.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.016 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.68 41.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 771' ' ' SER . 4.0 tt -118.03 138.15 52.4 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 770' ' ' LEU . 16.3 m -10.87 -94.84 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.235 0.96 . . . . 0.0 111.324 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -145.72 176.52 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.785 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . 0.407 ' O ' ' O ' ' A' ' 774' ' ' PRO . 1.8 mp -108.59 103.5 51.46 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.965 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 773' ' ' ILE . 68.6 Cg_exo -47.49 -178.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.898 2.398 . . . . 0.0 112.109 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -82.99 154.33 67.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.06 134.28 39.02 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.454 2.103 . . . . 0.0 112.194 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -75.28 -92.73 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.512 2.142 . . . . 0.0 112.234 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 163.1 -110.9 0.45 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' 1001 ' ' MET . 18.3 pttm -174.07 56.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.493 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1000 ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 779' ' ' LYS . 47.8 Cg_endo -69.21 11.6 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.668 2.245 . . . . 0.0 111.947 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1001 ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 779' ' ' LYS . 28.5 mtt 49.12 97.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.587 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -100.3 67.7 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 19.8 t -76.61 115.66 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.447 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -172.36 121.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -69.3 -29.22 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.616 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 63.18 119.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.327 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 3.3 mp -103.84 63.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -52.84 162.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -74.06 151.3 40.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -126.12 66.23 0.55 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.56 -175.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.394 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 1.7 p -70.41 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 93.2 m-20 50.47 54.35 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.11 26.1 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1502 ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . -169.88 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1503 ' ' TYR . . . . . 0.615 ' CE1' ' NZ ' ' A' 1552 ' ' LYS . 44.5 t80 -52.96 -26.39 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.728 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.93 -27.68 32.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.333 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1505 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1505 ' ' ASP . 22.3 p-10 -48.47 -41.35 29.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.86 -57.81 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 45.6 mt -49.34 -44.24 44.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 89.2 t -57.31 -56.29 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.363 0.601 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -54.67 -43.65 72.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.523 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.74 -58.72 5.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -37.89 -41.64 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' 1515 ' ' MET . 15.2 mtp-105 -65.65 -72.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -39.95 -24.5 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' 1512 ' ' ARG . 44.9 mt -79.69 -36.65 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' 1512 ' ' ARG . 83.6 mmm -63.49 -60.23 3.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 82.2 p -79.91 50.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.69 154.41 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.811 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' ARG . . . . . 0.461 ' CG ' ' H ' ' A' 1519 ' ' GLU . 3.1 tpt180 -140.01 -127.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.461 ' H ' ' CG ' ' A' 1518 ' ' ARG . 41.7 mt-10 51.04 100.02 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.546 ' C ' ' H ' ' A' 1522 ' ' ILE . 17.2 mmm-85 -68.76 -165.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 15.7 t-80 73.73 -28.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.546 ' H ' ' C ' ' A' 1520 ' ' ARG . 90.6 mt -87.82 -40.0 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.342 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1523 ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' A' 1523 ' ' LEU . 4.1 mm? -54.57 -42.27 70.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.882 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1524 ' ' GLN . . . . . 0.464 ' N ' ' OG ' ' A' ' 771' ' ' SER . 9.4 pt20 -64.42 -8.58 13.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.53 -5.18 17.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1526 ' ' ILE . . . . . 0.418 HD12 HG21 ' A' 1526 ' ' ILE . 94.0 mt -103.84 -49.54 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.412 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 49.1 t -58.51 -47.35 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1528 ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' 1528 ' ' ASN . 1.5 m-20 -63.97 -38.02 89.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.328 0.585 . . . . 0.0 110.503 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.31 -48.54 78.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.495 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.7 mp -68.22 -30.31 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.966 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.19 -35.81 65.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.515 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 47.8 tp10 -65.89 -33.4 75.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' 1534 ' ' GLY . 31.4 p -57.34 -115.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.501 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 164.3 3.7 0.04 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -120.54 59.48 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.87 0.367 . . . . 0.0 110.783 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1536 ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' 1536 ' ' PHE . 5.4 p90 -144.25 133.82 23.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.5 132.85 36.47 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.991 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1538 ' ' ILE . . . . . 0.426 ' C ' ' HG1' ' A' 1539 ' ' THR . 5.1 mm -110.42 144.43 18.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.276 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -151.99 141.11 21.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.786 178.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1540 ' ' ASN . . . . . 0.4 ' N ' HD21 ' A' 1540 ' ' ASN . 3.1 m120 -68.24 3.67 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1541 ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' 1539 ' ' THR . 22.8 p -133.04 -11.25 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.4 t -168.86 160.02 9.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.189 0.519 . . . . 0.0 110.629 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.63 127.99 4.98 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.2 p30 -137.03 -169.19 2.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 10.6 p90 -169.91 167.09 9.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.332 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -115.33 110.77 19.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.0 -3.61 42.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1548 ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' 1548 ' ' CYS . 42.9 t -77.58 0.08 24.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 33.7 t -123.98 -40.82 2.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.46 141.41 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -40.97 150.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1552 ' ' LYS . . . . . 0.615 ' NZ ' ' CE1' ' A' 1503 ' ' TYR . 12.7 ttmm -71.55 -18.71 62.24 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.229 0.538 . . . . 0.0 110.682 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 18.3 p -62.65 -54.33 41.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.1 m -46.62 -41.44 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.3 t -61.54 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -64.24 -37.05 86.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1557 ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' 1560 ' ' SER . 13.9 mptt -65.69 -55.98 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.307 0.575 . . . . 0.0 110.082 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 86.0 mt -46.31 -60.74 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -45.51 -43.07 11.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1560 ' ' SER . . . . . 0.585 ' OG ' ' CD1' ' A' 1561 ' ' TYR . 6.1 p -48.89 -66.32 0.42 Allowed 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.154 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.585 ' CD1' ' OG ' ' A' 1560 ' ' SER . 0.9 OUTLIER -59.59 -34.52 72.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.37 -37.07 85.84 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.45 80.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.333 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 17.9 p -97.3 110.68 23.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1565 ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' 1567 ' ' THR . 8.2 t -159.01 -72.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.604 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -78.91 26.01 2.48 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1567 ' ' THR . . . . . 0.438 ' H ' ' C ' ' A' 1565 ' ' SER . 10.4 m -57.03 113.33 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.524 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 56.4 173.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.291 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 38.1 mt -129.65 77.01 77.78 Favored Pre-proline 0 N--CA 1.464 0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.215 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.6 -70.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.807 2.338 . . . . 0.0 111.959 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 741' ' ' LEU . 3.7 mm? 43.97 70.09 2.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.366 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -48.55 -73.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.734 2.289 . . . . 0.0 111.792 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 745' ' ' ASP . 9.2 mp 39.28 38.86 0.38 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -44.44 -18.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 743' ' ' LEU . 15.4 p30 -45.35 168.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.441 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 3.8 m 60.71 147.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . 0.476 ' HZ2' ' CB ' ' A' ' 747' ' ' LYS . 9.1 mtmp? 48.94 32.91 4.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 7.2 tp -82.35 134.14 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.378 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 749' ' ' LEU . 9.3 mp -71.26 157.87 37.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 91.6 p -171.38 75.74 0.52 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -48.82 -30.34 17.0 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.637 2.225 . . . . 0.0 112.062 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 752' ' ' LEU . 3.7 mm? -79.25 151.83 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.47 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -170.64 -51.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.533 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -110.03 -161.46 0.76 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.415 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.02 76.21 46.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.196 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . 0.474 ' N ' ' CD ' ' A' ' 757' ' ' PRO . 25.8 Cg_exo -51.22 -41.81 56.54 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 121.832 1.688 . . . . 0.0 112.32 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 756' ' ' PRO . 47.4 Cg_exo -56.34 158.8 14.44 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.746 1.631 . . . . 0.0 112.167 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.62 127.09 14.2 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.61 2.207 . . . . 0.0 111.535 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -147.67 137.75 22.91 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 13.4 t 52.12 -169.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.287 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.75 134.84 41.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.728 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 40.2 mtt -128.11 119.97 26.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' 1544 ' ' ASP . 28.9 t -70.04 129.03 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.19 123.71 30.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.926 0.393 . . . . 0.0 109.987 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 765' ' ' ILE . 1.8 mp -104.4 118.2 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.888 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 768' ' ' ASP . 1.6 m -37.15 109.74 0.1 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.301 0.572 . . . . 0.0 111.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.95 5.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 766' ' ' THR . 1.1 m-20 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.36 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 15.4 mt -120.06 23.08 11.19 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 770' ' ' LEU . 0.0 OUTLIER -73.82 148.94 41.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 179.343 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 770' ' ' LEU . 81.2 p -15.21 -89.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . 0.43 ' N ' ' OG ' ' A' ' 771' ' ' SER . 0.1 OUTLIER -153.13 165.29 36.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.705 177.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 774' ' ' PRO . 0.0 OUTLIER -105.14 105.75 53.01 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.191 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 773' ' ' ILE . 86.5 Cg_exo -44.57 176.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.281 1.987 . . . . 0.0 112.252 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.27 138.63 88.54 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . 0.447 ' N ' ' CD ' ' A' ' 777' ' ' PRO . 20.6 Cg_exo -51.53 -43.15 52.11 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.33 1.353 . . . . 0.0 113.119 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 776' ' ' PRO . 51.6 Cg_exo -54.22 -166.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.1 1.867 . . . . 0.0 112.224 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 79.32 166.45 31.98 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -159.33 152.75 18.79 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.429 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.11 -162.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.531 2.154 . . . . 0.0 111.764 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 6.8 ptm -150.01 62.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 98.48 159.24 29.91 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 36.9 p -159.59 59.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.424 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -153.57 45.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 25.8 tptt -67.28 130.65 43.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' GLN . . . . . 0.548 ' CD ' ' H ' ' A' 1493 ' ' GLN . 0.1 OUTLIER -81.56 -168.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.259 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 16.2 tt -173.11 139.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.406 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -157.91 92.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.387 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 6.8 m120 -150.07 151.81 33.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 45.0 90.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.97 -52.48 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 26.0 p -149.75 58.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1500 ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' 1500 ' ' ASP . 14.2 p-10 -170.32 50.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' 1503 ' ' TYR . 17.6 mmmt -88.34 -86.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1502 ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . 71.11 -37.24 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1503 ' ' TYR . . . . . 0.54 ' H ' ' C ' ' A' 1501 ' ' LYS . 39.4 t80 -46.07 -37.67 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.02 -28.88 7.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.362 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1505 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1502 ' ' ALA . 1.3 m-20 -50.87 -36.08 36.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -65.66 -49.45 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.78 -40.92 76.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.675 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 64.9 t -60.8 -50.4 80.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.594 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.77 -41.68 91.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.41 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.43 -53.1 60.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.268 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 27.9 t60 -40.44 -43.69 1.86 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.467 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.1 -68.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -43.19 -51.24 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 13.8 mt -50.48 -36.79 35.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1515 ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.32 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.497 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.5 m -47.67 -68.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1517 ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' 1517 ' ' LEU . 4.1 mm? -60.7 150.52 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.267 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1518 ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' 1519 ' ' GLU . 34.3 ptt-85 -169.33 37.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' 1518 ' ' ARG . 21.1 mt-10 -47.43 174.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.266 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' 1522 ' ' ILE . 19.2 mmt85 -101.6 173.46 6.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1521 ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' 1520 ' ' ARG . 4.9 m-70 71.01 -13.79 0.49 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.687 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.504 ' H ' ' C ' ' A' 1520 ' ' ARG . 5.5 pt -97.51 -38.4 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.345 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.24 -47.98 71.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.394 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1524 ' ' GLN . . . . . 0.516 ' CD ' ' H ' ' A' 1524 ' ' GLN . 0.0 OUTLIER -61.91 -15.36 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -104.51 -0.77 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.63 -44.88 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.258 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.8 t -69.06 -47.8 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.6 t30 -65.23 -46.39 80.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 6.8 tp -48.73 -41.28 31.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.454 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.4 mp -76.45 -32.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -52.7 -35.63 55.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.44 -32.55 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.588 ' HG1' ' N ' ' A' 1534 ' ' GLY . 32.5 p -58.57 -113.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 110.726 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.588 ' N ' ' HG1' ' A' 1533 ' ' THR . . . 163.62 2.91 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.91 59.88 0.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.5 p90 -145.74 136.0 23.9 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.527 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 76.1 t60 -94.72 132.94 38.94 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.1 mm -109.82 143.48 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -151.5 147.02 26.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -72.94 5.38 3.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.622 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 63.6 p -138.14 -2.8 1.82 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1539 ' ' THR . 4.7 t -173.99 156.9 2.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.135 0.493 . . . . 0.0 110.306 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.04 128.37 5.49 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1544 ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 2.2 p30 -137.55 -171.24 2.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.342 0.591 . . . . 0.0 110.899 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 3.5 p90 -163.88 163.91 23.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.904 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1546 ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' 1546 ' ' ASP . 1.6 m-20 -103.42 99.9 9.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.719 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 73.3 mt -71.0 -14.38 62.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.398 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 10.0 m -77.24 8.5 3.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 5.1 m -126.94 -45.77 1.57 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.77 142.31 50.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.543 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1551 ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' 1551 ' ' ASP . 1.1 m-20 -48.98 159.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.268 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1552 ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' 1552 ' ' LYS . 0.0 OUTLIER -73.64 -11.66 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 80.4 p -69.15 -50.79 44.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.0 m -53.73 -47.16 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.055 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 41.7 t -60.22 -34.18 56.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.014 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1556 ' ' ARG . . . . . 0.44 ' O ' ' OG ' ' A' 1560 ' ' SER . 0.0 OUTLIER -67.18 -35.65 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.3 -55.81 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.036 0.445 . . . . 0.0 110.833 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 53.3 mt -49.2 -57.87 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.687 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -46.89 -42.88 18.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.352 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1560 ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.4 m -53.55 -68.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.9 OUTLIER -52.27 -38.2 57.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 6.5 mt -58.5 -20.6 47.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -97.83 63.78 1.7 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 30.3 p 45.15 86.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 71.0 m -41.35 152.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -159.19 19.15 0.27 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 9.2 m -49.87 134.71 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.63 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 739' ' ' LEU . 35.8 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 46.39 20.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.6 OUTLIER -81.11 -43.3 1.18 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 31.6 Cg_exo -57.73 117.86 4.64 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.407 2.071 . . . . 0.0 111.751 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.2 tp -160.52 63.4 1.91 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.94 -164.75 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.642 2.228 . . . . 0.0 111.98 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 5.3 mp -78.67 153.42 31.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 53.44 -133.3 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.211 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.41 -173.49 3.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.374 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.21 87.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . 0.495 ' C ' ' H ' ' A' ' 749' ' ' LEU . 0.0 OUTLIER -81.6 149.09 28.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.97 9.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.495 ' H ' ' C ' ' A' ' 747' ' ' LYS . 14.1 mt 50.74 28.37 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.635 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.3 OUTLIER -75.39 -41.38 3.76 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 750' ' ' SER . 23.8 Cg_exo -62.79 112.41 1.63 Allowed 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.838 2.359 . . . . 0.0 112.082 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 752' ' ' LEU . 4.0 mm? -73.25 163.52 27.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 0.0 110.725 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -67.85 125.91 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.265 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.42 104.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' THR . . . . . 0.641 ' N ' ' CD ' ' A' ' 756' ' ' PRO . 0.2 OUTLIER -85.08 -41.22 0.65 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.449 179.167 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 755' ' ' THR . 38.5 Cg_exo -58.32 159.6 18.87 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.507 2.138 . . . . 0.0 112.023 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.18 161.46 45.76 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.341 2.028 . . . . 0.0 111.991 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.12 -11.0 29.28 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.761 2.307 . . . . 0.0 111.881 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -80.42 126.21 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 83.1 p -157.12 -153.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.49 134.85 41.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' MET . . . . . 0.437 ' O ' ' NZ ' ' A' ' 764' ' ' LYS . 32.4 mtt -126.96 151.16 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.8 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 93.8 t -99.29 122.16 50.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -128.81 125.41 37.69 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 110.159 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.93 115.09 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 12.5 m -46.79 114.1 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . 0.569 ' C ' ' H ' ' A' ' 769' ' ' LEU . 0.7 OUTLIER -53.7 -31.41 47.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.92 1.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . 0.569 ' H ' ' C ' ' A' ' 767' ' ' LEU . 44.3 mt -120.55 19.63 11.93 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.48 165.17 23.22 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.022 0.439 . . . . 0.0 110.087 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 28.7 t -113.62 -92.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.59 146.89 54.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.768 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 773' ' ' ILE . 0.0 OUTLIER -119.06 147.28 42.32 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.85 132.01 19.3 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.571 2.181 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . 0.561 ' CD ' ' H ' ' A' ' 775' ' ' GLN . 2.5 mp0 -64.58 148.88 96.28 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.3 119.31 6.32 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.262 1.975 . . . . 0.0 112.066 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -77.28 -92.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.281 1.987 . . . . 0.0 111.948 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -175.73 -100.89 0.14 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -168.13 65.83 0.7 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.13 105.33 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.67 2.246 . . . . 0.0 112.141 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 7.2 tpt -83.09 148.95 27.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 102.41 124.98 5.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 66.1 m -164.96 -89.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.499 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.71 -157.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.403 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 93.5 mttt -147.7 -72.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.48 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -170.87 -37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.475 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 63.2 mt 55.92 102.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 44.4 pttt -58.25 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.45 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -50.61 170.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -173.96 -105.88 0.19 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -65.68 174.28 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.291 . . . . 0.0 110.43 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1499 ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' 1500 ' ' ASP . 15.4 p -87.63 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.203 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1500 ' ' ASP . . . . . 0.45 ' N ' ' SG ' ' A' 1499 ' ' CYS . 15.0 p-10 -113.15 -123.9 0.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.371 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.417 ' H ' ' CG ' ' A' 1500 ' ' ASP . 43.5 tttm -52.49 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . -169.61 -45.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.647 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -86.13 -25.06 25.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.628 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.76 -54.03 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -51.48 -27.55 10.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.26 -59.43 3.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 58.0 mt -50.12 -37.66 35.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 76.4 t -57.78 -55.19 23.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.03 -40.92 82.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.83 -53.18 59.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.901 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -42.01 -44.2 3.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -66.97 0.45 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.128 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -44.19 -47.47 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.28 -37.68 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.963 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1515 ' ' MET . . . . . . . . . . . . . 45.9 tpp -63.1 -53.73 48.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.7 m -86.12 52.76 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.457 . . . . 0.0 110.673 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.2 tp -162.99 151.74 14.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1518 ' ' ARG . . . . . 0.648 ' C ' ' H ' ' A' 1520 ' ' ARG . 18.9 ptt180 -164.5 -52.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' 1520 ' ' ARG . 39.3 mm-40 59.52 -9.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.648 ' H ' ' C ' ' A' 1518 ' ' ARG . 8.6 tpt180 56.02 158.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.215 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 27.0 t60 73.16 -17.01 0.44 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.528 ' H ' ' C ' ' A' 1520 ' ' ARG . 4.0 mt -95.11 -31.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.467 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 19.1 mt -49.76 -36.8 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -70.09 -15.25 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' 1522 ' ' ILE . 69.0 mt-30 -96.79 -10.12 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.87 -51.65 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.206 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.5 t -53.34 -44.52 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.991 0.424 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1528 ' ' ASN . . . . . 0.617 HD21 ' N ' ' A' 1528 ' ' ASN . 1.0 OUTLIER -63.46 -54.2 40.16 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.2 mp -42.12 -48.85 4.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.465 ' O ' ' OG1' ' A' 1533 ' ' THR . 38.9 mm -71.24 -31.22 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.33 -35.08 62.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.403 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 1.3 mp0 -67.93 -34.78 77.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.545 ' HG1' ' N ' ' A' 1534 ' ' GLY . 34.3 p -56.68 -116.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.545 ' N ' ' HG1' ' A' 1533 ' ' THR . . . 175.65 -43.63 0.12 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 75.0 m80 -75.93 61.08 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.98 136.45 24.03 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.57 134.34 49.85 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.93 141.68 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -144.99 143.34 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.753 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.58 3.54 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 68.3 p -132.0 -9.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.6 t -172.35 161.15 5.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1543 ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -158.53 130.96 6.94 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.14 -171.17 2.96 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.177 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.21 165.75 15.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.97 116.84 30.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -85.71 -4.13 59.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 16.5 p -81.61 8.76 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.528 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 32.6 p -128.88 -33.16 2.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 110.67 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.46 138.7 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -42.64 156.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.466 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 14.7 pttp -74.21 -13.03 60.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 110.715 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 66.4 p -70.09 -47.99 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.5 m -51.9 -44.68 63.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.6 t -68.03 -37.5 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -60.19 -43.43 95.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.12 -45.06 90.25 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.395 0.617 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 64.5 mt -54.68 -58.29 8.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.186 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -45.98 -40.27 10.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.11 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1560 ' ' SER . . . . . 0.444 ' O ' ' OG1' ' A' 1564 ' ' THR . 3.6 t -52.09 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.829 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -46.74 -36.63 7.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1562 ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 4.6 mt -60.09 -50.2 74.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.202 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -99.08 65.91 1.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.961 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1564 ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' 1560 ' ' SER . 18.2 m -144.57 107.0 4.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 42.0 t -82.2 -110.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.29 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 90.21 -136.56 13.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 20.0 p -145.36 -15.02 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.518 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.488 179.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . 0.505 ' CG ' ' H ' ' A' ' 739' ' ' LEU . 14.0 tpp180 -70.61 -137.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . 0.505 ' H ' ' CG ' ' A' ' 738' ' ' ARG . 5.7 tp -166.17 71.87 1.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.474 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -47.96 137.16 22.71 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.609 2.206 . . . . 0.0 112.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 0.8 OUTLIER -178.98 -43.54 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.475 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 33.6 Cg_exo -58.98 -22.21 62.21 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.416 2.077 . . . . 0.0 112.12 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 745' ' ' ASP . 0.1 OUTLIER -83.12 69.84 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.425 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -43.18 95.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 743' ' ' LEU . 30.5 m-20 -74.3 -80.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.301 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 61.9 p -109.42 74.84 0.92 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 749' ' ' LEU . 46.8 tttp -58.75 -15.7 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.45 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 77.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.171 0.51 . . . . 0.0 110.332 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 747' ' ' LYS . 57.9 mt -142.49 -8.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 6.2 t 52.63 76.59 0.52 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -46.06 -21.05 0.95 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.652 2.234 . . . . 0.0 112.019 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 5.5 tp -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 57.63 160.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.41 -38.6 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 7.5 m 59.29 66.7 2.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.084 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.16 126.47 13.08 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 121.804 1.669 . . . . 0.0 111.65 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -49.18 -46.2 26.71 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.787 1.658 . . . . 0.0 112.516 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.63 81.48 2.1 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 121.402 1.401 . . . . 0.0 112.266 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . 0.427 ' O ' ' OG ' ' A' ' 760' ' ' SER . 18.2 mm100 -85.03 -58.07 2.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.407 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 24.0 p 59.06 -132.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . 0.504 ' N ' ' OG ' ' A' ' 760' ' ' SER . 5.2 mp -130.13 134.21 47.17 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 4.0 mmt -127.1 155.81 42.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.101 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.26 120.12 50.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 764' ' ' LYS . 5.3 ttpm? -129.44 125.91 37.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 16.4 mm -105.64 111.95 37.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.63 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.0 m -48.96 117.57 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . 0.553 ' C ' ' H ' ' A' ' 769' ' ' LEU . 1.1 tp -51.26 -47.09 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.744 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.8 OUTLIER -52.05 -8.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' A' ' 767' ' ' LEU . 63.7 mt -120.91 33.72 5.47 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.978 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 771' ' ' SER . 2.2 tp -119.49 -46.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 772' ' ' ARG . 2.6 p 84.41 -65.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' OG ' ' A' ' 771' ' ' SER . 58.7 mtm180 -105.91 123.52 48.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.656 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 123.52 34.86 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.395 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -45.68 129.01 11.32 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.12 1.88 . . . . 0.0 112.451 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.34 151.69 67.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.502 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.36 111.18 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.587 2.191 . . . . 0.0 112.118 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.29 -34.81 32.91 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.248 1.965 . . . . 0.0 112.659 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.11 73.34 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -154.53 78.49 5.08 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.733 0.301 . . . . 0.0 110.585 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.37 137.67 72.14 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.82 2.346 . . . . 0.0 111.997 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -1.27 45.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.361 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 63.69 144.59 0.02 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 14.9 m -72.74 141.44 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1491 ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' 1491 ' ' ASP . 16.7 p-10 -164.55 -116.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.578 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1492 ' ' LYS . . . . . 0.465 ' H ' ' CG ' ' A' 1491 ' ' ASP . 31.6 tptt 59.54 117.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -78.54 143.71 36.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.36 159.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1495 ' ' LYS . . . . . 0.419 ' NZ ' ' CB ' ' A' 1495 ' ' LYS . 6.0 ttpm? -161.71 71.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -100.06 136.72 39.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.399 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 162.04 -74.71 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -80.34 122.56 27.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 11.2 m -78.86 165.95 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.25 19.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -45.95 138.15 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . 71.39 -65.13 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -51.0 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 4.4 pp -41.13 -28.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.525 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 48.5 t0 -51.87 -46.33 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1506 ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' 1506 ' ' GLU . 3.6 mp0 -71.26 -56.97 4.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.37 -50.76 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.716 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 45.9 t -63.46 -42.99 98.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.512 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.39 -36.92 83.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.027 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.9 mp -63.65 -55.02 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.291 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1511 ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' 1510 ' ' LEU . 33.0 t60 -39.46 -44.29 1.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.331 0.586 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' 1514 ' ' LEU . 7.0 tpt180 -64.14 -70.63 0.21 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.63 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -45.7 -19.73 0.06 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.319 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' 1512 ' ' ARG . 1.3 mm? -77.08 -34.45 56.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' 1512 ' ' ARG . 24.8 mtp -67.66 -68.63 0.37 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.1 t -39.6 -32.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.7 tp -70.63 117.56 12.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -82.27 -11.48 58.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.696 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 60.93 152.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.532 ' C ' ' H ' ' A' 1522 ' ' ILE . 20.7 ttp-105 -169.74 113.3 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.375 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 5.2 t60 68.85 -12.32 0.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.532 ' H ' ' C ' ' A' 1520 ' ' ARG . 13.1 pt -103.14 -26.32 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.146 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.4 -36.01 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -76.78 -13.79 59.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1525 ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' 1522 ' ' ILE . 4.0 tp-100 -92.0 -19.28 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.51 -57.31 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 67.3 t -51.71 -40.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.654 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -64.0 -41.17 97.57 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 7.8 tp -59.08 -25.87 64.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.817 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' ILE . . . . . 0.52 ' O ' ' OG1' ' A' 1533 ' ' THR . 29.8 mm -92.4 -34.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 110.143 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -50.19 -40.26 46.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.47 -30.93 71.61 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1533 ' ' THR . . . . . 0.52 ' OG1' ' O ' ' A' 1530 ' ' ILE . 43.0 p -60.35 -93.5 0.0 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.5 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 144.95 7.63 0.42 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 12.2 m80 -121.94 59.59 0.99 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 13.1 p90 -142.51 133.15 25.29 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.116 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -92.27 132.35 36.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.2 mm -109.97 144.71 17.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.1 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -152.66 141.68 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 14.9 p30 -68.2 3.1 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.725 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 38.3 p -133.4 -8.56 2.91 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 0.0 OUTLIER -170.84 161.52 7.22 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.025 0.441 . . . . 0.0 110.201 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1543 ' ' PHE . . . . . 0.428 ' O ' ' CD1' ' A' 1543 ' ' PHE . 0.0 OUTLIER -159.25 130.83 6.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.4 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.4 -173.34 3.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 27.0 p90 -166.77 164.04 16.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.603 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1546 ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' 1546 ' ' ASP . 19.0 p-10 -118.31 118.12 30.93 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.507 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.77 -1.59 57.37 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.195 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 84.7 m -77.42 8.56 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 9.4 p -130.01 -28.37 2.18 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.642 0.258 . . . . 0.0 110.651 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.05 144.83 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.23 156.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 47.9 mttm -66.37 -16.94 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.65 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 19.5 p -70.56 -45.82 64.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 9.8 m -51.46 -44.05 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.111 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 15.8 t -68.37 -37.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -60.82 -40.44 92.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.25 -46.78 79.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 8.9 mt -53.79 -63.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -45.53 -42.48 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.004 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 2.1 t -48.84 -70.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' 1561 ' ' TYR . 1.1 m-85 -53.8 -34.6 59.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1562 ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' 1564 ' ' THR . 0.1 OUTLIER -63.62 -69.17 0.29 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.99 0.424 . . . . 0.0 110.49 -179.566 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -64.47 76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.343 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1564 ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' 1562 ' ' LEU . 74.7 p -134.01 118.01 17.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.177 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.3 t -136.32 136.74 39.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.372 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 89.4 -55.31 3.89 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 55.5 p -72.94 -0.53 13.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.404 ' H2 ' ' H ' ' A' ' 738' ' ' ARG . 14.3 m . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 740' ' ' PRO . 63.4 mtp85 -76.34 118.53 19.14 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.064 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' LEU . . . . . 0.614 ' H ' ' CD2' ' A' ' 739' ' ' LEU . 4.1 mm? -21.48 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 O-C-N 124.004 0.815 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 738' ' ' ARG . 31.3 Cg_exo -57.62 66.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.742 2.295 . . . . 0.0 112.119 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 741' ' ' LEU . 3.6 mm? 36.85 78.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.95 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.61 -19.08 4.55 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.534 2.156 . . . . 0.0 112.064 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 49.74 82.72 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -81.72 99.94 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 747' ' ' LYS . 0.0 OUTLIER -78.46 -96.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' LYS . . . . . 0.516 ' N ' ' OG1' ' A' ' 746' ' ' THR . 58.0 mmtt 59.78 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.97 133.22 51.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . 0.401 ' O ' ' OG ' ' A' ' 750' ' ' SER . 11.1 mt -72.89 147.33 45.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 749' ' ' LEU . 45.1 p 48.51 67.99 3.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.516 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.27 -178.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.722 2.281 . . . . 0.0 112.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 752' ' ' LEU . 10.0 mp -75.75 -24.51 56.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -78.49 22.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.487 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 752' ' ' LEU . 60.2 t0 -51.87 -31.6 28.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.412 . . . . 0.0 110.498 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.37 158.64 86.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.429 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.72 112.72 1.35 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.691 2.261 . . . . 0.0 111.738 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' PRO . . . . . 0.537 ' N ' ' CD ' ' A' ' 758' ' ' PRO . 36.2 Cg_exo -50.03 -44.51 37.14 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.622 2.215 . . . . 0.0 112.077 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 757' ' ' PRO . 38.8 Cg_exo -55.86 129.33 34.41 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.526 2.151 . . . . 0.0 112.181 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.78 -78.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 3.4 m 60.14 -155.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.28 135.94 35.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 30.4 mtp -127.53 117.09 21.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' 1544 ' ' ASP . 88.6 t -73.98 122.5 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.27 125.13 36.13 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.968 0.413 . . . . 0.0 110.437 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.16 116.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 1.3 m -44.44 142.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.063 0.458 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -49.38 74.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 770' ' ' LEU . 4.6 m-20 -49.73 -36.76 26.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.539 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.48 3.34 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 768' ' ' ASP . 17.7 mt -131.14 164.72 24.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.387 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 33.0 t -112.92 -67.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -73.99 152.72 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ILE . . . . . 0.404 ' O ' ' OE1' ' A' ' 775' ' ' GLN . 4.6 mp -129.48 112.87 17.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.06 130.28 13.29 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.534 2.156 . . . . 0.0 112.232 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 773' ' ' ILE . 3.8 mp0 -70.37 148.56 95.59 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -36.75 99.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 123.064 2.51 . . . . 0.0 112.002 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.52 -163.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.536 2.157 . . . . 0.0 111.936 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -101.71 171.13 21.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -40.43 106.09 0.4 Allowed Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.907 -0.146 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.09 176.83 9.51 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.63 2.22 . . . . 0.0 111.914 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 14.7 ptt? -156.66 169.82 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -149.85 43.67 0.74 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 56.6 m -46.12 142.32 2.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.947 0.403 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.06 -43.83 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 37.1 mmtt 45.27 66.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.632 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' 1495 ' ' LYS . 0.6 OUTLIER -79.81 80.73 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.508 -179.475 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 15.2 pt -100.67 -18.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1495 ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' 1493 ' ' GLN . 59.4 mmtt -62.7 142.55 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.797 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -168.36 -153.65 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 59.18 155.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.15 73.31 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 21.2 p -173.98 142.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.633 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1500 ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' 1501 ' ' LYS . 10.1 p-10 -164.79 -59.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.618 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1501 ' ' LYS . . . . . 0.533 ' H ' ' CG ' ' A' 1500 ' ' ASP . 81.8 mttt -52.4 -173.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.576 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . 74.43 -66.56 0.29 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.54 -33.08 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.47 -47.37 84.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -29.6 4.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.041 0.448 . . . . 0.0 110.776 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -68.91 -56.72 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 64.9 mt -50.61 -42.6 56.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 39.1 t -62.65 -48.48 87.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.73 -28.75 66.13 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' 1511 ' ' HIS . 0.6 OUTLIER -67.5 -57.03 7.25 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1511 ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' 1510 ' ' LEU . 25.2 t-80 -35.89 -41.5 0.23 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.23 0.538 . . . . 0.0 110.42 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1512 ' ' ARG . . . . . 0.521 ' C ' ' H ' ' A' 1514 ' ' LEU . 27.1 ttp180 -66.65 -75.0 0.1 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.305 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1513 ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' 1516 ' ' THR . 50.2 mtp85 -45.79 -13.89 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1514 ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' 1512 ' ' ARG . 9.3 mt -84.8 -32.61 23.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.423 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1515 ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.9 ttm -66.68 -14.08 62.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.609 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1516 ' ' THR . . . . . 0.5 ' HG1' ' H ' ' A' 1517 ' ' LEU . 33.4 p -79.87 -90.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.598 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1517 ' ' LEU . . . . . 0.5 ' H ' ' HG1' ' A' 1516 ' ' THR . 0.2 OUTLIER 59.08 112.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -131.73 49.83 2.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.748 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1519 ' ' GLU . . . . . 0.412 ' H ' ' CD1' ' A' 1517 ' ' LEU . 67.0 mm-40 -136.71 -158.32 0.86 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.348 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' 1522 ' ' ILE . 0.0 OUTLIER -145.29 159.7 42.64 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1521 ' ' HIS . . . . . 0.402 ' CG ' ' C ' ' A' 1520 ' ' ARG . 1.9 m-70 71.12 -2.57 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1522 ' ' ILE . . . . . 0.405 ' H ' ' C ' ' A' 1520 ' ' ARG . 3.9 mt -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.606 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.82 -41.34 61.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.45 -46.0 61.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.325 0.39 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -53.07 -38.75 62.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1526 ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' 1526 ' ' ILE . 95.0 mt -63.71 -6.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.032 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 12.5 t -104.12 -44.32 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.896 0.379 . . . . 0.0 110.355 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.21 -39.68 93.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.31 -40.25 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.606 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.23 -33.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 0.0 110.568 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -58.68 -27.49 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.067 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -82.37 -34.19 28.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1533 ' ' THR . . . . . . . . . . . . . 72.7 p -76.64 -99.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.55 . . . . 0.0 111.107 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 157.32 170.13 21.87 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 75.0 51.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.49 133.31 27.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 12.2 m170 -89.52 125.9 35.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.31 146.85 13.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.174 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.09 146.07 23.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 177.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1540 ' ' ASN . . . . . 0.481 ' N ' HD21 ' A' 1540 ' ' ASN . 0.9 OUTLIER -70.4 3.18 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.647 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 35.3 p -134.34 -10.79 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.148 0.28 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1542 ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -166.79 158.09 12.56 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.601 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.53 125.28 3.74 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1544 ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 1.2 p30 -134.9 -168.8 2.23 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 4.3 p90 -170.72 167.8 7.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.413 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -120.17 99.23 6.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1547 ' ' LEU . . . . . 0.53 ' C ' ' H ' ' A' 1549 ' ' SER . 0.6 OUTLIER -67.89 -4.71 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 71.9 m -67.81 8.55 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.6 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1549 ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' 1547 ' ' LEU . 17.8 p -144.05 -37.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 53.3 mt -50.74 139.17 17.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' ASP . . . . . 0.468 ' CG ' ' HG1' ' A' 1553 ' ' THR . 25.6 t0 -42.38 142.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1552 ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' 1551 ' ' ASP . 30.5 mtmt -65.92 -21.15 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1553 ' ' THR . . . . . 0.468 ' HG1' ' CG ' ' A' 1551 ' ' ASP . 28.9 p -65.6 -54.26 30.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.401 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.7 m -48.45 -49.16 36.48 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.002 0.43 . . . . 0.0 110.207 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.5 t -58.85 -41.39 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.116 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.4 -43.19 67.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 50.4 mttm -58.51 -46.73 86.12 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.204 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 65.5 mt -49.49 -66.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.761 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -44.9 -48.04 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.509 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 4.0 t -42.08 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1561 ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.3 OUTLIER -54.13 -29.75 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.2 0.524 . . . . 0.0 111.236 -178.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -72.83 0.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -164.54 98.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.474 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 11.3 m -143.05 67.69 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.463 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 67.6 m -86.99 123.96 32.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -82.67 -91.32 0.64 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 19.5 p -84.55 152.14 24.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.492 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.542 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.672 0.272 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.19 136.35 48.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.498 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 48.3 mtp -127.55 155.49 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.066 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' 1547 ' ' LEU . 72.5 t -103.14 122.53 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 764' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -127.31 124.12 37.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 765' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 766' ' ' THR . 53.4 mt -106.99 117.23 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.21 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 766' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 765' ' ' ILE . 10.2 t -35.14 134.24 0.27 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 123.487 0.492 . . . . 0.0 110.76 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -77.86 -17.52 57.27 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.547 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.51 -56.47 5.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.54 37.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.335 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.6 OUTLIER -112.86 -51.76 2.82 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 771' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 3.0 p 84.42 -56.32 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.684 0.278 . . . . 0.0 110.911 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 772' ' ' ARG . . . . . 0.48 ' NH1' ' CD ' ' A' 1524 ' ' GLN . 58.8 mtt180 -86.26 132.66 33.94 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.661 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.9 mp -128.88 97.41 26.93 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 N--CA 1.493 1.49 0 C-N-CA 122.519 2.146 . . . . 0.0 112.367 -179.288 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1502 ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' 1504 ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.0 t80 -39.48 -27.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.013 0.435 . . . . 0.0 110.961 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1504 ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' 1502 ' ' ALA . 18.6 mt -53.64 -37.11 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.33 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1505 ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' 1506 ' ' GLU . 26.7 p-10 -46.58 -47.48 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1506 ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' 1505 ' ' ASP . 33.4 tt0 -55.81 -60.74 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.607 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1507 ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' 1511 ' ' HIS . 12.9 mt -51.04 -47.25 61.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 79.6 t -55.37 -56.14 13.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.297 0.57 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1509 ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' 1512 ' ' ARG . 25.7 tp10 -53.67 -44.68 69.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.413 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.8 tp -47.59 -61.81 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1511 ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' 1507 ' ' LEU . 2.3 m-70 -38.99 -41.26 0.75 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.786 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' 1509 ' ' GLU . 13.6 mtm180 -64.86 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.417 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -41.19 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' 1512 ' ' ARG . 4.7 mt -75.23 -36.65 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.344 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 1512 ' ' ARG . 13.4 mtp -65.51 -30.8 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.1 m -91.66 46.94 1.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.621 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.01 130.81 56.93 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -154.36 67.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1520 ' ' ARG . 29.2 mt-10 -133.38 -6.08 2.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' 1522 ' ' ILE . 47.9 mtm180 48.64 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 37.5 t-80 72.89 -33.47 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' 1520 ' ' ARG . 45.3 mt -84.59 -41.47 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' 1527 ' ' VAL . 53.9 mt -45.79 -34.16 3.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1524 ' ' GLN . . . . . 0.48 ' CD ' ' NH1' ' A' ' 772' ' ' ARG . 48.8 tt0 -66.83 -25.46 66.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.69 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1525 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1522 ' ' ILE . 56.4 mm-40 -90.02 -4.6 57.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 98.9 mt -105.32 -25.78 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.463 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1527 ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' 1523 ' ' LEU . 48.3 t -90.95 -47.64 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 26.6 tp -51.53 -49.91 61.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.635 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' 1530 ' ' ILE . 1.4 mp -74.52 -38.14 45.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.186 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -41.1 -47.47 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.744 0.307 . . . . 0.0 110.848 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.38 -21.98 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' 1534 ' ' GLY . 0.0 OUTLIER -128.99 106.99 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.763 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . -47.37 178.04 0.01 OUTLIER Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1535 ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' 1534 ' ' GLY . 53.8 t60 111.12 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.47 0.708 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 55.4 p90 -139.88 134.53 31.78 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 31.6 m80 -89.22 125.77 35.22 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.5 tp -108.77 148.93 12.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.084 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.59 146.18 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.017 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 6.3 m120 -69.65 3.72 2.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1541 ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' 1542 ' ' THR . 77.7 p -138.91 -5.1 1.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.403 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.47 HG22 ' N ' ' A' 1543 ' ' PHE . 87.8 m -168.41 156.56 8.38 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1543 ' ' PHE . . . . . 0.47 ' N ' HG22 ' A' 1542 ' ' THR . 0.0 OUTLIER -159.98 125.86 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1544 ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' 1544 ' ' ASP . 9.6 p-10 -135.34 -170.93 2.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.23 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -174.3 173.6 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.347 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -114.41 118.85 35.0 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.081 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.719 ' H ' HD12 ' A' 1547 ' ' LEU . 0.1 OUTLIER -87.92 -10.23 51.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 11.7 p -92.23 7.85 40.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.536 ' CB ' ' NE2' ' A' 1535 ' ' HIS . 49.5 m -106.53 -51.89 2.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.493 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.65 165.85 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.25 154.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.534 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -70.92 -16.49 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.663 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 41.4 p -66.9 -42.01 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 24.6 m -56.91 -35.62 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.534 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.2 t -71.09 -38.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.791 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.94 -54.31 27.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.44 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 61.7 mt -49.55 -59.78 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -41.97 15.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.9 t -52.87 -66.5 0.37 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.845 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' 1563 ' ' GLU . 1.4 m-85 -53.32 -36.84 61.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.67 -1.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1563 ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' 1561 ' ' TYR . 43.1 mt-10 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.34 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.807 0.337 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.7 128.72 39.57 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.83 117.6 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.687 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.96 121.9 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.986 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' LYS . . . . . 0.449 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.0 OUTLIER -130.76 127.42 38.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.122 0.487 . . . . 0.0 110.58 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 765' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 765' ' ' ILE . 2.7 mp -106.55 114.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 766' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 767' ' ' LEU . 58.9 m -48.18 161.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.559 ' N ' HG22 ' A' ' 766' ' ' THR . 3.5 mm? -87.19 -43.36 12.29 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -51.66 -20.47 2.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 32.7 mt -100.16 10.51 41.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 110.833 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 16.0 mt -114.93 145.55 42.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 0.0 110.394 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 15.8 m -108.61 -20.6 13.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.546 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -127.09 139.86 52.69 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.178 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 773' ' ' ILE . 4.0 mp -127.53 108.39 20.91 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--N 1.314 -1.267 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.729 0.3 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.37 -30.1 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 39.9 mt -54.82 -32.76 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -46.92 -44.55 19.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.511 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.42 -52.66 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 6.9 mt -47.93 -49.83 28.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 75.6 t -57.67 -52.4 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.378 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -14.91 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.25 -44.32 21.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.79 -40.29 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.107 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' 1515 ' ' MET . 53.3 ttp180 -65.7 -70.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.919 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -37.92 -29.91 0.03 OUTLIER 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1516 ' ' THR . 14.2 mt -80.21 -39.03 29.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.6 ttm -60.82 76.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.644 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1516 ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' 1514 ' ' LEU . 16.7 p 55.84 83.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.86 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.695 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -153.04 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.462 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.036 0.446 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 54.44 42.77 31.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -150.93 6.11 0.51 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 14.6 pt -103.67 -4.47 9.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 110.334 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.4 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.81 -6.08 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -107.66 -25.73 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 87.2 mt -79.02 -44.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.741 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.5 t -56.95 -44.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.109 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 3.8 m120 -63.06 -36.8 84.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.67 -48.52 77.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.49 -36.06 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -55.73 -26.72 46.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.1 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.07 -39.23 19.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.223 0.535 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' 1534 ' ' GLY . 78.5 p -69.53 -80.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.759 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . 136.14 168.82 11.6 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1535 ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' 1534 ' ' GLY . 2.1 t-160 77.99 52.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.473 -0.428 . . . . 0.0 110.805 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -143.4 135.85 27.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -89.7 128.26 36.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.41 146.97 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.583 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -153.54 143.41 21.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 109.902 178.29 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.88 3.44 1.98 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 3.0 p -134.7 -10.57 2.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.9 t -167.35 156.63 10.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.266 0.555 . . . . 0.0 110.61 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1543 ' ' PHE . . . . . 0.46 ' CD2' ' O ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -157.68 125.53 5.34 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 3.7 p30 -135.66 -168.76 2.26 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -170.2 166.76 8.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.377 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1546 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1546 ' ' ASP . 0.6 OUTLIER -112.27 109.51 19.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.371 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 7.3 mt -78.37 -6.05 54.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.061 0.458 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 27.6 p -76.09 8.49 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 41.0 t -134.43 -36.04 0.89 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.88 142.14 58.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -46.9 153.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -12.3 60.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.548 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 61.3 p -67.4 -51.45 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.9 m -53.04 -44.44 67.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.368 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 12.3 t -66.13 -41.1 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.677 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -63.02 -39.08 93.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 110.694 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.36 -44.75 74.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.974 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.05 -68.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.48 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' 1562 ' ' LEU . 5.8 pt20 -43.55 -39.19 3.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.234 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 1.2 t -48.5 -57.23 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1561 ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 -34.67 76.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1562 ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' 1559 ' ' GLN . 97.1 mt -60.03 -10.73 4.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 761' ' ' LEU . . . . . 0.417 HD23 ' HD1' ' A' 1511 ' ' HIS . 4.7 mp -133.59 135.31 44.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 60.9 mtp -128.35 119.63 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.704 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.66 122.25 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.75 124.86 36.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.19 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 71.2 mt -106.27 114.19 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 4.7 m -45.57 148.47 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 769' ' ' LEU . 4.0 mm? -83.15 -33.53 26.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 768' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.9 OUTLIER -57.31 -5.58 0.32 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 769' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 767' ' ' LEU . 48.7 mt -117.23 15.93 14.89 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 6.3 mt -123.87 156.74 35.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 50.5 m -112.61 -64.57 1.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.725 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -91.69 133.51 35.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.86 129.41 24.03 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo . . . . . 0 N--CA 1.489 1.234 0 C-N-CA 122.551 2.168 . . . . 0.0 112.346 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 51.5 t80 -50.72 -41.62 56.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.37 -26.43 7.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -49.85 -39.12 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -69.76 -60.34 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1507 ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' 1507 ' ' LEU . 55.6 mt -48.3 -47.63 36.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 54.9 t -57.13 -59.22 3.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.04 -29.06 67.0 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.805 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.72 -53.14 29.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1511 ' ' HIS . . . . . 0.417 ' HD1' HD23 ' A' ' 761' ' ' LEU . 9.6 t-160 -40.6 -43.7 1.96 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.38 0.609 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' 1515 ' ' MET . 41.4 ttt85 -64.89 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -42.11 -26.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' 1512 ' ' ARG . 31.6 mt -76.03 -35.57 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' 1512 ' ' ARG . 6.4 mmt -64.04 -14.64 55.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.343 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 5.1 m -64.32 -44.35 91.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.291 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 24.8 tp 58.06 -97.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 54.55 52.03 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -169.3 177.61 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.557 ' O ' ' CG ' ' A' 1521 ' ' HIS . 4.8 ptp180 -176.5 67.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1521 ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' 1520 ' ' ARG . 5.9 m80 -174.5 -17.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.412 HG21 HD13 ' A' 1522 ' ' ILE . 8.0 mt -98.56 -22.01 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.161 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.6 mt -52.38 -32.19 37.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1524 ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' 1528 ' ' ASN . 9.0 pt20 -60.52 -8.0 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.637 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1525 ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' 1529 ' ' LEU . 57.2 mt-30 -105.25 -42.36 5.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.59 -53.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 41.3 t -55.93 -44.07 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.983 0.42 . . . . 0.0 110.613 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1528 ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1524 ' ' GLN . 1.3 m-20 -62.67 -48.22 80.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -48.37 -55.93 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.708 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1530 ' ' ILE . . . . . 0.442 ' O ' ' OG1' ' A' 1533 ' ' THR . 20.5 mm -67.61 -38.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.314 0.578 . . . . 0.0 110.807 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -46.71 -39.85 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.686 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.31 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' 1534 ' ' GLY . 53.4 p -59.81 -97.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 145.9 6.21 0.41 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 23.1 m170 -120.78 59.73 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 20.5 p90 -142.35 133.29 25.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 19.6 m80 -90.45 129.13 36.67 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.4 146.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.225 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -153.65 144.82 22.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.89 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -67.38 1.92 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1541 ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' 1542 ' ' THR . 12.1 p -141.44 0.44 1.48 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' 1539 ' ' THR . 20.9 m -167.99 147.27 4.74 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-O 120.939 0.399 . . . . 0.0 110.661 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.11 120.1 4.03 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -136.09 -168.72 2.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.456 0.646 . . . . 0.0 110.793 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 9.6 p90 -173.06 171.78 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.403 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1546 ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' 1546 ' ' ASP . 14.0 p-10 -119.0 112.43 19.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.151 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -79.52 -3.66 47.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.105 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 18.7 t -67.13 -12.9 61.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 70.1 m -104.19 -54.48 2.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.876 0.37 . . . . 0.0 110.648 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 19.7 mt -42.69 139.84 1.48 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -46.09 155.24 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.359 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -65.67 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.659 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 29.5 p -71.6 -31.93 67.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.376 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 8.8 m -57.67 -57.69 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 5.1 m -60.49 -39.32 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1556 ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' 1560 ' ' SER . 37.1 ttm180 -61.57 -42.9 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.23 0.538 . . . . 0.0 110.45 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -68.21 -47.25 68.39 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.42 0.629 . . . . 0.0 110.57 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.55 -61.25 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1559 ' ' GLN . . . . . 0.421 ' O ' ' OE2' ' A' 1563 ' ' GLU . 77.7 mt-30 -44.17 -38.19 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.147 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1560 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.3 m -53.51 -72.11 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -45.86 -37.89 6.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 110.404 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1562 ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 3.0 mt -59.73 -47.66 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.826 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1563 ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' 1559 ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.262 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.42 133.63 46.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 53.7 mmm -127.23 118.18 23.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.68 125.19 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -127.23 124.77 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.3 mt -107.21 117.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.1 m -37.15 102.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.741 ' O ' HD22 ' A' ' 770' ' ' LEU . 5.7 tt -73.97 -7.74 53.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.099 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.83 -30.68 71.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 21.3 mt -112.49 31.09 6.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.326 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.902 HD23 ' H ' ' A' ' 771' ' ' SER . 1.0 OUTLIER -77.77 -38.85 45.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.52 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 771' ' ' SER . . . . . 0.902 ' H ' HD23 ' A' ' 770' ' ' LEU . 1.2 m 76.75 -76.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -81.51 124.8 29.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 770' ' ' LEU . 2.3 mp -114.99 130.21 24.4 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.491 1.375 0 C-N-CA 122.096 1.864 . . . . 0.0 111.495 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1503 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 1505 ' ' ASP . 30.0 t80 -45.65 -41.3 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.727 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1504 ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' 1504 ' ' LEU . 0.2 OUTLIER -44.96 -16.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1505 ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' 1503 ' ' TYR . 90.3 m-20 -56.71 -54.71 43.01 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.976 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.68 -33.87 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.721 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -45.27 80.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1508 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1504 ' ' LEU . 48.8 t -57.48 -49.08 81.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 121.21 0.529 . . . . 0.0 109.79 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -58.12 -45.64 86.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.0 tp -49.0 -48.04 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.041 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1511 ' ' HIS . . . . . 0.409 ' O ' ' ND1' ' A' 1511 ' ' HIS . 1.5 t60 -49.9 -41.15 45.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' 1515 ' ' MET . 92.8 mtt180 -63.63 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.068 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -40.88 -29.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.431 HD21 HD12 ' A' 1558 ' ' LEU . 7.9 mt -75.32 -39.19 59.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.087 0.47 . . . . 0.0 110.685 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' 1512 ' ' ARG . 32.6 ttm -63.5 -48.6 76.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 4.3 m -82.51 49.02 1.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 111.161 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' 1517 ' ' LEU . 1.4 pp -49.4 177.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.552 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1518 ' ' ARG . . . . . 0.666 ' N ' ' NE ' ' A' 1518 ' ' ARG . 0.0 OUTLIER -165.97 25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.642 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -172.02 145.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.268 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' 1522 ' ' ILE . 1.5 mpt_? -100.68 -165.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 9.7 t-80 70.44 -21.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.551 ' H ' ' C ' ' A' 1520 ' ' ARG . 95.6 mt -87.83 -40.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.88 -37.97 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1524 ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 770' ' ' LEU . 47.5 mm-40 -73.04 -28.25 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1525 ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' 1522 ' ' ILE . 28.3 mt-30 -78.0 -10.56 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.718 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1526 ' ' ILE . . . . . 0.438 HG12 HD11 ' A' 1558 ' ' LEU . 89.6 mt -99.79 -48.16 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.7 t -56.35 -45.66 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.944 0.402 . . . . 0.0 111.017 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -64.12 -49.65 71.35 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.976 0.417 . . . . 0.0 110.645 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 4.3 tp -48.77 -36.27 16.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 46.4 mm -80.85 -28.04 11.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.032 0.444 . . . . 0.0 110.486 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -58.7 -29.2 66.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.093 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.82 -37.36 67.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' 1534 ' ' GLY . 64.7 p -54.1 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 156.51 -43.69 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -78.6 62.8 3.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.939 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -143.34 133.52 24.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -96.95 134.24 40.56 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.249 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -109.51 146.73 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 767' ' ' LEU . 0.2 OUTLIER -152.64 142.71 22.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.154 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.9 5.13 1.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.738 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 82.4 p -131.06 -15.8 3.28 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -167.57 162.82 14.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.223 0.535 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.94 127.28 5.19 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1544 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1544 ' ' ASP . 35.4 p-10 -137.83 -169.47 2.56 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -170.09 169.39 8.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.516 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -110.81 107.39 16.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.11 -7.03 51.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 60.5 m -84.15 9.01 13.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.636 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.4 m -127.49 -24.62 3.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 14.2 mt -83.72 171.4 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.577 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.94 153.64 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.73 -11.4 60.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 82.3 p -66.96 -52.43 42.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 7.4 p -53.62 -38.41 64.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.052 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.5 t -69.27 -40.24 80.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.916 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -61.71 -38.44 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.6 -57.56 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' LEU . . . . . 0.438 HD11 HG12 ' A' 1526 ' ' ILE . 3.6 mm? -46.44 -56.83 5.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.025 0.44 . . . . 0.0 111.073 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1559 ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' 1559 ' ' GLN . 0.1 OUTLIER -48.37 -44.48 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.246 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 6.9 t -52.52 -72.26 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.971 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.4 OUTLIER -50.89 -36.85 40.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.31 -19.4 61.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.559 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 760' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 1.8 t . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.836 0.35 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 761' ' ' LEU . . . . . 0.447 ' N ' ' OG ' ' A' ' 760' ' ' SER . 0.1 OUTLIER -155.74 119.7 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.134 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.04 150.06 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.092 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 36.1 t -102.92 123.97 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -127.85 123.63 35.57 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.155 0.502 . . . . 0.0 109.738 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 770' ' ' LEU . 56.5 mt -106.57 119.38 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.997 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 766' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 765' ' ' ILE . 0.2 OUTLIER -40.38 163.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 -179.364 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 767' ' ' LEU . 0.5 OUTLIER -96.35 -28.31 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.797 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 768' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 768' ' ' ASP . 0.4 OUTLIER -82.07 -32.31 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.8 -178.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 769' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 769' ' ' LEU . 3.6 mm? -78.43 -14.71 59.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.939 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 765' ' ' ILE . 0.2 OUTLIER -79.58 -44.27 21.39 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.007 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 771' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 4.3 p 86.52 -41.74 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.032 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 772' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 770' ' ' LEU . 4.9 tpt180 -116.59 154.36 30.62 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 773' ' ' ILE . . . . . 0.717 ' N ' HD12 ' A' ' 773' ' ' ILE . 0.1 OUTLIER -129.54 108.04 17.33 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.778 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.499 1.836 0 C-N-CA 122.259 1.973 . . . . 0.0 112.067 179.487 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1502 ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' 1504 ' ' LEU . . . . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.724 0.297 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.8 t80 -42.21 -20.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 111.088 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1504 ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' 1502 ' ' ALA . 2.2 pp -68.87 -33.31 73.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.279 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1505 ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' 1506 ' ' GLU . 2.2 p30 -50.66 -43.83 57.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1506 ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' 1505 ' ' ASP . 36.4 tp10 -62.15 -49.38 76.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.57 -42.54 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.672 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 53.0 t -60.4 -51.33 74.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.23 0.538 . . . . 0.0 110.328 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.58 -46.68 86.43 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.474 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.4 tp -47.03 -63.97 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1511 ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' 1510 ' ' LEU . 4.3 t-80 -31.52 -40.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.593 0.558 . . . . 0.0 110.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.9 mtp85 -66.49 -72.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.651 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -40.5 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' 1512 ' ' ARG . 11.9 mt -84.24 -35.87 23.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' 1515 ' ' MET . 0.0 OUTLIER -64.33 78.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.703 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1516 ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' 1514 ' ' LEU . 3.9 m 50.45 83.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.621 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.25 -76.09 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.233 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -171.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -83.84 145.25 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -71.13 -151.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.411 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1521 ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' 1523 ' ' LEU . 26.9 m80 46.95 -172.87 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 17.5 mt 64.11 -41.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 123.339 0.399 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1521 ' ' HIS . 18.5 mt -51.7 -44.77 63.27 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -72.01 -37.04 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -69.3 -13.88 62.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1526 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 1526 ' ' ILE . 78.0 mt -102.68 -12.94 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1527 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' 1523 ' ' LEU . 42.4 t -91.43 -50.09 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 110.337 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.24 -37.56 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 16.7 tp -51.67 -56.31 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.606 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' 1533 ' ' THR . 5.9 mm -70.0 -41.38 79.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.086 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -38.48 -49.58 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.47 -15.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.839 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.642 HG23 ' O ' ' A' 1530 ' ' ILE . 70.7 p -66.09 -27.36 68.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.555 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 80.2 21.42 65.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.61 74.33 1.51 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1536 ' ' PHE . . . . . 0.616 ' CZ ' ' CG ' ' A' 1545 ' ' PHE . 0.2 OUTLIER -138.7 127.46 23.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1537 ' ' HIS . . . . . 0.488 ' C ' HD12 ' A' 1538 ' ' ILE . 40.6 t-80 -95.54 124.74 39.71 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' 1537 ' ' HIS . 1.4 mp -108.53 148.41 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -148.57 142.38 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.35 0.88 3.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.02 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 24.4 p -126.11 -12.75 6.33 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -176.46 169.4 2.64 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 110.955 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -161.8 131.07 4.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -137.63 -172.53 3.25 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.206 0.527 . . . . 0.0 111.243 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1545 ' ' PHE . . . . . 0.616 ' CG ' ' CZ ' ' A' 1536 ' ' PHE . 1.9 p90 -167.45 164.29 14.97 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.49 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.65 118.01 31.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' 1547 ' ' LEU . 2.1 mp -87.51 -4.12 58.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.539 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 87.5 m -78.92 7.43 7.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.785 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 59.1 p -114.82 -17.48 11.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.705 0.288 . . . . 0.0 110.43 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 11.5 mt -89.37 167.46 13.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.614 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1551 ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' 1552 ' ' LYS . 14.7 t70 -74.06 173.41 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1552 ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' 1551 ' ' ASP . 0.0 OUTLIER -78.28 -15.23 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 -179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 20.4 p -62.63 -47.45 83.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.392 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 41.2 m -56.65 -44.45 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 50.8 t -58.85 -39.39 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -60.98 -41.96 97.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -64.16 -44.24 92.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.4 -65.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -43.36 -41.6 4.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.31 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1560 ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' 1561 ' ' TYR . 1.4 p -52.8 -62.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.537 ' N ' ' OG ' ' A' 1560 ' ' SER . 4.8 m-85 -60.08 -38.38 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.142 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.95 -62.06 2.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1563 ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' 1563 ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.99 0.424 . . . . 0.0 110.217 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.753 0.311 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.45 131.07 41.33 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 62.1 mtp -125.33 118.01 25.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.475 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.48 123.94 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.288 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -128.08 122.96 33.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 93.5 mt -106.61 118.63 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.947 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 6.1 m -37.23 113.21 0.24 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.577 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -53.07 -40.67 64.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.078 -178.765 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.98 -54.95 27.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.016 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.68 41.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 771' ' ' SER . 4.0 tt -118.03 138.15 52.4 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 771' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 770' ' ' LEU . 16.3 m -10.87 -94.84 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.235 0.96 . . . . 0.0 111.324 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -145.72 176.52 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.785 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 773' ' ' ILE . 1.8 mp -108.59 103.5 51.46 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.965 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 774' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 773' ' ' ILE . 68.6 Cg_exo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.898 2.398 . . . . 0.0 112.109 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1502 ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1503 ' ' TYR . . . . . 0.615 ' CE1' ' NZ ' ' A' 1552 ' ' LYS . 44.5 t80 -52.96 -26.39 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.728 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.93 -27.68 32.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.333 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1505 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1505 ' ' ASP . 22.3 p-10 -48.47 -41.35 29.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.86 -57.81 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 45.6 mt -49.34 -44.24 44.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 89.2 t -57.31 -56.29 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.363 0.601 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -54.67 -43.65 72.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.523 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.74 -58.72 5.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -37.89 -41.64 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' 1515 ' ' MET . 15.2 mtp-105 -65.65 -72.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -39.95 -24.5 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' 1512 ' ' ARG . 44.9 mt -79.69 -36.65 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' 1512 ' ' ARG . 83.6 mmm -63.49 -60.23 3.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 82.2 p -79.91 50.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.69 154.41 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.811 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1518 ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' A' 1519 ' ' GLU . 3.1 tpt180 -140.01 -127.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' A' 1518 ' ' ARG . 41.7 mt-10 51.04 100.02 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' 1522 ' ' ILE . 17.2 mmm-85 -68.76 -165.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 15.7 t-80 73.73 -28.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' 1520 ' ' ARG . 90.6 mt -87.82 -40.0 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.342 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' 1523 ' ' LEU . 4.1 mm? -54.57 -42.27 70.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.882 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1524 ' ' GLN . . . . . 0.464 ' N ' ' OG ' ' A' ' 771' ' ' SER . 9.4 pt20 -64.42 -8.58 13.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.53 -5.18 17.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 94.0 mt -103.84 -49.54 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.412 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 49.1 t -58.51 -47.35 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1528 ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' 1528 ' ' ASN . 1.5 m-20 -63.97 -38.02 89.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.328 0.585 . . . . 0.0 110.503 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.31 -48.54 78.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.22 -30.31 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.966 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.19 -35.81 65.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.515 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 47.8 tp10 -65.89 -33.4 75.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' 1534 ' ' GLY . 31.4 p -57.34 -115.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.501 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 164.3 3.7 0.04 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -120.54 59.48 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.87 0.367 . . . . 0.0 110.783 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1536 ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' 1536 ' ' PHE . 5.4 p90 -144.25 133.82 23.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.5 132.85 36.47 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.991 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -110.42 144.43 18.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.276 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -151.99 141.11 21.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.786 178.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -68.24 3.67 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1541 ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' 1539 ' ' THR . 22.8 p -133.04 -11.25 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.4 t -168.86 160.02 9.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.189 0.519 . . . . 0.0 110.629 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.63 127.99 4.98 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.2 p30 -137.03 -169.19 2.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 10.6 p90 -169.91 167.09 9.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.332 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -115.33 110.77 19.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.0 -3.61 42.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1548 ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' 1548 ' ' CYS . 42.9 t -77.58 0.08 24.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 33.7 t -123.98 -40.82 2.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.46 141.41 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -40.97 150.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1552 ' ' LYS . . . . . 0.615 ' NZ ' ' CE1' ' A' 1503 ' ' TYR . 12.7 ttmm -71.55 -18.71 62.24 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.229 0.538 . . . . 0.0 110.682 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 18.3 p -62.65 -54.33 41.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.1 m -46.62 -41.44 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.3 t -61.54 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -64.24 -37.05 86.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.69 -55.98 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.307 0.575 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 86.0 mt -46.31 -60.74 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -45.51 -43.07 11.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1560 ' ' SER . . . . . 0.585 ' OG ' ' CD1' ' A' 1561 ' ' TYR . 6.1 p -48.89 -66.32 0.42 Allowed 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.154 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.585 ' CD1' ' OG ' ' A' 1560 ' ' SER . 0.9 OUTLIER -59.59 -34.52 72.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1562 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 1562 ' ' LEU . 0.2 OUTLIER -63.37 -37.07 85.84 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.207 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.333 -179.632 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.75 134.84 41.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.728 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 40.2 mtt -128.11 119.97 26.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' 1544 ' ' ASP . 28.9 t -70.04 129.03 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 764' ' ' LYS . . . . . 0.479 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.9 OUTLIER -130.19 123.71 30.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.926 0.393 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 765' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 765' ' ' ILE . 1.8 mp -104.4 118.2 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.888 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 766' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 768' ' ' ASP . 1.6 m -37.15 109.74 0.1 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.301 0.572 . . . . 0.0 111.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 770' ' ' LEU . 1.1 tp -67.95 5.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 768' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 766' ' ' THR . 1.1 m-20 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.36 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 15.4 mt -120.06 23.08 11.19 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 770' ' ' LEU . 0.0 OUTLIER -73.82 148.94 41.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 179.343 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 771' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 770' ' ' LEU . 81.2 p -15.21 -89.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 772' ' ' ARG . . . . . 0.43 ' N ' ' OG ' ' A' ' 771' ' ' SER . 0.1 OUTLIER -153.13 165.29 36.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.705 177.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 773' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 774' ' ' PRO . 0.0 OUTLIER -105.14 105.75 53.01 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.191 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 774' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 773' ' ' ILE . 86.5 Cg_exo . . . . . 0 N--CA 1.493 1.479 0 C-N-CA 122.281 1.987 . . . . 0.0 112.252 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1502 ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 39.4 t80 -46.07 -37.67 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.02 -28.88 7.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.362 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1505 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1502 ' ' ALA . 1.3 m-20 -50.87 -36.08 36.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -65.66 -49.45 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.78 -40.92 76.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.675 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 64.9 t -60.8 -50.4 80.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.594 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.77 -41.68 91.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.41 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.43 -53.1 60.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.268 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 27.9 t60 -40.44 -43.69 1.86 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.467 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.1 -68.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -43.19 -51.24 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.419 HD21 HD11 ' A' 1562 ' ' LEU . 13.8 mt -50.48 -36.79 35.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1515 ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.32 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.497 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.5 m -47.67 -68.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' 1517 ' ' LEU . 4.1 mm? -60.7 150.52 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.267 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1518 ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' 1519 ' ' GLU . 34.3 ptt-85 -169.33 37.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' 1518 ' ' ARG . 21.1 mt-10 -47.43 174.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.266 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' 1522 ' ' ILE . 19.2 mmt85 -101.6 173.46 6.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1521 ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' 1520 ' ' ARG . 4.9 m-70 71.01 -13.79 0.49 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.687 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' 1520 ' ' ARG . 5.5 pt -97.51 -38.4 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.345 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.24 -47.98 71.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.394 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1524 ' ' GLN . . . . . 0.601 ' CD ' ' H ' ' A' 1524 ' ' GLN . 0.0 OUTLIER -61.91 -15.36 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -104.51 -0.77 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.63 -44.88 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.258 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.8 t -69.06 -47.8 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.6 t30 -65.23 -46.39 80.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 6.8 tp -48.73 -41.28 31.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1530 ' ' ILE . . . . . 0.436 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.4 mp -76.45 -32.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -52.7 -35.63 55.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.44 -32.55 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.508 ' OG1' ' N ' ' A' 1534 ' ' GLY . 32.5 p -58.57 -113.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 110.726 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.508 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 163.62 2.91 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.91 59.88 0.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.5 p90 -145.74 136.0 23.9 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.527 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 76.1 t60 -94.72 132.94 38.94 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.1 mm -109.82 143.48 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.448 ' O ' HD22 ' A' ' 767' ' ' LEU . 0.3 OUTLIER -151.5 147.02 26.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -72.94 5.38 3.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.622 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 63.6 p -138.14 -2.8 1.82 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1539 ' ' THR . 4.7 t -173.99 156.9 2.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.135 0.493 . . . . 0.0 110.306 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.04 128.37 5.49 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1544 ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 2.2 p30 -137.55 -171.24 2.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.342 0.591 . . . . 0.0 110.899 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 3.5 p90 -163.88 163.91 23.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.904 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1546 ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' 1546 ' ' ASP . 1.6 m-20 -103.42 99.9 9.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.719 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 73.3 mt -71.0 -14.38 62.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.398 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 10.0 m -77.24 8.5 3.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 5.1 m -126.94 -45.77 1.57 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.77 142.31 50.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.543 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1551 ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' 1551 ' ' ASP . 1.1 m-20 -48.98 159.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.268 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1552 ' ' LYS . . . . . 0.609 ' CD ' ' H ' ' A' 1552 ' ' LYS . 0.0 OUTLIER -73.64 -11.66 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 80.4 p -69.15 -50.79 44.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.0 m -53.73 -47.16 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.055 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 41.7 t -60.22 -34.18 56.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.014 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1556 ' ' ARG . . . . . 0.44 ' O ' ' OG ' ' A' 1560 ' ' SER . 0.0 OUTLIER -67.18 -35.65 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.3 -55.81 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.036 0.445 . . . . 0.0 110.833 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1558 ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' 1558 ' ' LEU . 53.3 mt -49.2 -57.87 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.687 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -46.89 -42.88 18.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.352 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1560 ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.4 m -53.55 -68.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.9 OUTLIER -52.27 -38.2 57.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1562 ' ' LEU . . . . . 0.419 HD11 HD21 ' A' 1514 ' ' LEU . 6.5 mt -58.5 -20.6 47.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.53 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.673 0.273 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.49 134.85 41.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 32.4 mtt -126.96 151.16 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.8 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 93.8 t -99.29 122.16 50.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -128.81 125.41 37.69 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 110.159 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.93 115.09 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 12.5 m -46.79 114.1 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 769' ' ' LEU . 0.7 OUTLIER -53.7 -31.41 47.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.92 1.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 769' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 767' ' ' LEU . 44.3 mt -120.55 19.63 11.93 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.48 165.17 23.22 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.022 0.439 . . . . 0.0 110.087 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 28.7 t -113.62 -92.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 772' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 772' ' ' ARG . 0.9 OUTLIER -65.59 146.89 54.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.768 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 773' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 773' ' ' ILE . 0.0 OUTLIER -119.06 147.28 42.32 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 N--CA 1.494 1.521 0 C-N-CA 122.571 2.181 . . . . 0.0 112.344 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -86.13 -25.06 25.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.628 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.76 -54.03 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -51.48 -27.55 10.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.26 -59.43 3.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 58.0 mt -50.12 -37.66 35.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 76.4 t -57.78 -55.19 23.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.03 -40.92 82.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.83 -53.18 59.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.901 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -42.01 -44.2 3.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -66.97 0.45 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.128 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -44.19 -47.47 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.28 -37.68 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.963 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1515 ' ' MET . . . . . . . . . . . . . 45.9 tpp -63.1 -53.73 48.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.7 m -86.12 52.76 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.457 . . . . 0.0 110.673 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.2 tp -162.99 151.74 14.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1518 ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' 1520 ' ' ARG . 18.9 ptt180 -164.5 -52.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' 1520 ' ' ARG . 39.3 mm-40 59.52 -9.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' 1518 ' ' ARG . 8.6 tpt180 56.02 158.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.215 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 27.0 t60 73.16 -17.01 0.44 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' 1561 ' ' TYR . 4.0 mt -95.11 -31.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.467 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 19.1 mt -49.76 -36.8 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -70.09 -15.25 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' GLN . . . . . 0.636 ' O ' HD13 ' A' 1529 ' ' LEU . 69.0 mt-30 -96.79 -10.12 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.87 -51.65 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.206 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.5 t -53.34 -44.52 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.991 0.424 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1528 ' ' ASN . . . . . 0.408 ' O ' ' OE1' ' A' 1532 ' ' GLU . 7.5 m-20 -63.46 -54.2 40.16 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -42.12 -48.85 4.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.24 -31.22 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.33 -35.08 62.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.403 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 1.3 mp0 -67.93 -34.78 77.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' 1534 ' ' GLY . 34.3 p -56.68 -116.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.468 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 175.65 -43.63 0.12 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 75.0 m80 -75.93 61.08 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.98 136.45 24.03 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.57 134.34 49.85 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.93 141.68 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -144.99 143.34 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.753 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.58 3.54 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 68.3 p -132.0 -9.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.6 t -172.35 161.15 5.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1543 ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -158.53 130.96 6.94 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.14 -171.17 2.96 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.177 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.21 165.75 15.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.97 116.84 30.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.406 HD22 HG22 ' A' 1555 ' ' VAL . 8.6 mt -85.71 -4.13 59.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 16.5 p -81.61 8.76 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.528 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 32.6 p -128.88 -33.16 2.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 110.67 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.46 138.7 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -42.64 156.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.466 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 14.7 pttp -74.21 -13.03 60.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 110.715 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 66.4 p -70.09 -47.99 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.5 m -51.9 -44.68 63.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' VAL . . . . . 0.406 HG22 HD22 ' A' 1547 ' ' LEU . 11.6 t -68.03 -37.5 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -60.19 -43.43 95.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.12 -45.06 90.25 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.395 0.617 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 64.5 mt -54.68 -58.29 8.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.186 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -45.98 -40.27 10.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.11 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.6 t -52.09 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.829 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.578 ' CD1' ' C ' ' A' 1561 ' ' TYR . 0.1 OUTLIER -46.74 -36.63 7.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1562 ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 4.6 mt -60.09 -50.2 74.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.202 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.961 -179.663 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 760' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 24.0 p . . . . . 0 CA--C 1.524 -0.055 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' LEU . . . . . 0.504 ' N ' ' OG ' ' A' ' 760' ' ' SER . 5.2 mp -130.13 134.21 47.17 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 4.0 mmt -127.1 155.81 42.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.101 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.26 120.12 50.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 764' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 764' ' ' LYS . 5.3 ttpm? -129.44 125.91 37.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 16.4 mm -105.64 111.95 37.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.63 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.0 m -48.96 117.57 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 769' ' ' LEU . 1.1 tp -51.26 -47.09 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.744 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 768' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.8 OUTLIER -52.05 -8.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 769' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 767' ' ' LEU . 63.7 mt -120.91 33.72 5.47 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.978 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 771' ' ' SER . 2.2 tp -119.49 -46.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 771' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 772' ' ' ARG . 2.6 p 84.41 -65.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' OG ' ' A' ' 771' ' ' SER . 58.7 mtm180 -105.91 123.52 48.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.656 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 123.52 34.86 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.395 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 N--CA 1.493 1.47 0 C-N-CA 122.12 1.88 . . . . 0.0 112.451 -179.774 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.886 0.375 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -51.0 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1504 ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' 1505 ' ' ASP . 4.4 pp -41.13 -28.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.525 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1505 ' ' ASP . . . . . 0.649 ' N ' HD12 ' A' 1504 ' ' LEU . 48.5 t0 -51.87 -46.33 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1506 ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' 1506 ' ' GLU . 3.6 mp0 -71.26 -56.97 4.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.37 -50.76 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.716 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 45.9 t -63.46 -42.99 98.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.512 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.39 -36.92 83.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.027 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.9 mp -63.65 -55.02 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.291 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1511 ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' 1510 ' ' LEU . 33.0 t60 -39.46 -44.29 1.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.331 0.586 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' 1514 ' ' LEU . 7.0 tpt180 -64.14 -70.63 0.21 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.63 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -45.7 -19.73 0.06 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.319 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' 1512 ' ' ARG . 1.3 mm? -77.08 -34.45 56.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' 1512 ' ' ARG . 24.8 mtp -67.66 -68.63 0.37 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.1 t -39.6 -32.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.492 HD22 HD21 ' A' 1562 ' ' LEU . 2.7 tp -70.63 117.56 12.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -82.27 -11.48 58.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.696 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 60.93 152.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' 1522 ' ' ILE . 20.7 ttp-105 -169.74 113.3 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.375 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 5.2 t60 68.85 -12.32 0.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' 1520 ' ' ARG . 13.1 pt -103.14 -26.32 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.146 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1523 ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' 1523 ' ' LEU . 0.2 OUTLIER -48.4 -36.01 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -76.78 -13.79 59.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1525 ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' 1522 ' ' ILE . 4.0 tp-100 -92.0 -19.28 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.51 -57.31 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 67.3 t -51.71 -40.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.654 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -64.0 -41.17 97.57 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 7.8 tp -59.08 -25.87 64.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.817 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 29.8 mm -92.4 -34.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 110.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -50.19 -40.26 46.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.47 -30.93 71.61 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1533 ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' 1534 ' ' GLY . 43.0 p -60.35 -93.5 0.0 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.5 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 144.95 7.63 0.42 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 12.2 m80 -121.94 59.59 0.99 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 13.1 p90 -142.51 133.15 25.29 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.116 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -92.27 132.35 36.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.2 mm -109.97 144.71 17.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.1 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -152.66 141.68 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.63 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 14.9 p30 -68.2 3.1 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.725 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 38.3 p -133.4 -8.56 2.91 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 0.0 OUTLIER -170.84 161.52 7.22 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.025 0.441 . . . . 0.0 110.201 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1543 ' ' PHE . . . . . 0.428 ' O ' ' CD1' ' A' 1543 ' ' PHE . 0.0 OUTLIER -159.25 130.83 6.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.4 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.4 -173.34 3.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 27.0 p90 -166.77 164.04 16.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.603 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1546 ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' 1546 ' ' ASP . 19.0 p-10 -118.31 118.12 30.93 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.507 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' 1547 ' ' LEU . 1.9 mp -85.77 -1.59 57.37 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.195 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 84.7 m -77.42 8.56 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 9.4 p -130.01 -28.37 2.18 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.642 0.258 . . . . 0.0 110.651 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.05 144.83 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.23 156.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 47.9 mttm -66.37 -16.94 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.65 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 19.5 p -70.56 -45.82 64.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 9.8 m -51.46 -44.05 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.111 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 15.8 t -68.37 -37.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -60.82 -40.44 92.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.25 -46.78 79.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 8.9 mt -53.79 -63.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -45.53 -42.48 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.004 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 2.1 t -48.84 -70.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' 1561 ' ' TYR . 1.1 m-85 -53.8 -34.6 59.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1562 ' ' LEU . . . . . 0.492 HD21 HD22 ' A' 1517 ' ' LEU . 0.1 OUTLIER -63.62 -69.17 0.29 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.99 0.424 . . . . 0.0 110.49 -179.566 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.343 -179.807 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.28 135.94 35.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 30.4 mtp -127.53 117.09 21.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' 1544 ' ' ASP . 88.6 t -73.98 122.5 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 764' ' ' LYS . . . . . 0.412 ' HZ3' ' HB2' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -129.27 125.13 36.13 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.968 0.413 . . . . 0.0 110.437 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.16 116.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 1.3 m -44.44 142.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.063 0.458 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 767' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.2 OUTLIER -63.35 -49.38 74.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 768' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 770' ' ' LEU . 4.6 m-20 -49.73 -36.76 26.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.539 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.48 3.34 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 768' ' ' ASP . 17.7 mt -131.14 164.72 24.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.387 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 33.0 t -112.92 -67.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -73.99 152.72 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.48 112.87 17.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.31 -1.456 0 C-N-CA 122.534 2.156 . . . . 0.0 112.232 179.617 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.673 0.273 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.54 -33.08 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.47 -47.37 84.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -29.6 4.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.041 0.448 . . . . 0.0 110.776 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -68.91 -56.72 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 64.9 mt -50.61 -42.6 56.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 39.1 t -62.65 -48.48 87.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.73 -28.75 66.13 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' 1511 ' ' HIS . 0.6 OUTLIER -67.5 -57.03 7.25 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1511 ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' 1510 ' ' LEU . 25.2 t-80 -35.89 -41.5 0.23 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.23 0.538 . . . . 0.0 110.42 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1512 ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.1 ttp180 -66.65 -75.0 0.1 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.305 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1513 ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' 1516 ' ' THR . 50.2 mtp85 -45.79 -13.89 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1514 ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' 1512 ' ' ARG . 9.3 mt -84.8 -32.61 23.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.423 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1515 ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.9 ttm -66.68 -14.08 62.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.609 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1516 ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' 1513 ' ' ARG . 33.4 p -79.87 -90.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.598 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' 1518 ' ' ARG . 0.2 OUTLIER 59.08 112.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1518 ' ' ARG . . . . . 0.554 ' N ' HD13 ' A' 1517 ' ' LEU . 66.3 mtt180 -131.73 49.83 2.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.748 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1519 ' ' GLU . . . . . 0.452 ' H ' ' CD1' ' A' 1517 ' ' LEU . 67.0 mm-40 -136.71 -158.32 0.86 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.348 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1520 ' ' ARG . . . . . 0.402 ' C ' ' CG ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -145.29 159.7 42.64 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1521 ' ' HIS . . . . . 0.402 ' CG ' ' C ' ' A' 1520 ' ' ARG . 1.9 m-70 71.12 -2.57 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1522 ' ' ILE . . . . . 0.586 HG21 ' CE1' ' A' 1561 ' ' TYR . 3.9 mt -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.606 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.82 -41.34 61.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.45 -46.0 61.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.325 0.39 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -53.07 -38.75 62.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1526 ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' 1526 ' ' ILE . 95.0 mt -63.71 -6.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.032 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 12.5 t -104.12 -44.32 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.896 0.379 . . . . 0.0 110.355 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 53.2 t30 -65.21 -39.68 93.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.31 -40.25 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.606 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.23 -33.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 0.0 110.568 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -58.68 -27.49 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.067 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -82.37 -34.19 28.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1533 ' ' THR . . . . . . . . . . . . . 72.7 p -76.64 -99.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.55 . . . . 0.0 111.107 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 157.32 170.13 21.87 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 75.0 51.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.49 133.31 27.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 12.2 m170 -89.52 125.9 35.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.31 146.85 13.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.174 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.09 146.07 23.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 177.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -70.4 3.18 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.647 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 35.3 p -134.34 -10.79 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.148 0.28 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1542 ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -166.79 158.09 12.56 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.601 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.53 125.28 3.74 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1544 ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 1.2 p30 -134.9 -168.8 2.23 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 4.3 p90 -170.72 167.8 7.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.413 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -120.17 99.23 6.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1547 ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -67.89 -4.71 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 71.9 m -67.81 8.55 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.6 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1549 ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' 1547 ' ' LEU . 17.8 p -144.05 -37.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 53.3 mt -50.74 139.17 17.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1551 ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' 1552 ' ' LYS . 25.6 t0 -42.38 142.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1552 ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' 1551 ' ' ASP . 30.5 mtmt -65.92 -21.15 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 28.9 p -65.6 -54.26 30.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.7 m -48.45 -49.16 36.48 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.002 0.43 . . . . 0.0 110.207 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.5 t -58.85 -41.39 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.116 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.4 -43.19 67.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 50.4 mttm -58.51 -46.73 86.12 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.204 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 65.5 mt -49.49 -66.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.761 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.9 -48.04 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.509 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 4.0 t -42.08 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1561 ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.3 OUTLIER -54.13 -29.75 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.2 0.524 . . . . 0.0 111.236 -178.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -72.83 0.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.474 -179.496 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 55.83 32.48 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.726 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.1 OUTLIER -81.5 -41.41 1.07 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.69 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 740' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 57.0 Cg_endo -86.09 -53.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.479 2.119 . . . . 0.0 112.129 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.52 92.16 27.49 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -48.77 -61.2 0.62 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.544 2.163 . . . . 0.0 111.905 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 30.0 tp -171.86 118.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.552 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -81.16 162.52 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.454 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.99 -59.83 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 41.7 p -129.06 128.46 43.61 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.51 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 748' ' ' LEU . 3.7 mm? -77.44 123.24 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.624 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 749' ' ' LEU . 10.2 mp -78.15 -175.74 4.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.253 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.43 164.01 0.29 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.316 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.12 107.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.678 2.252 . . . . 0.0 111.881 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 752' ' ' LEU . 0.2 OUTLIER -45.19 103.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.624 -179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -76.48 159.77 30.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.59 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 755' ' ' THR . 1.0 OUTLIER -82.56 120.43 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 754' ' ' ASP . 0.0 OUTLIER 31.09 69.24 0.72 Allowed Pre-proline 0 N--CA 1.469 0.496 0 O-C-N 123.73 0.644 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.12 161.35 38.56 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.32 2.013 . . . . 0.0 112.336 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -38.59 155.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.377 2.051 . . . . 0.0 112.179 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.26 -164.46 0.16 Allowed 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.678 2.252 . . . . 0.0 111.694 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -142.69 125.64 16.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.095 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 70.3 p -150.32 -124.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.555 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.19 136.35 48.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.498 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 48.3 mtp -127.55 155.49 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.066 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' 1547 ' ' LEU . 72.5 t -103.14 122.53 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -127.31 124.12 37.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 766' ' ' THR . 53.4 mt -106.99 117.23 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.21 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 766' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 765' ' ' ILE . 10.2 t -35.14 134.24 0.27 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 123.487 0.492 . . . . 0.0 110.76 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -77.86 -17.52 57.27 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.547 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.51 -56.47 5.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.54 37.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.335 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.6 OUTLIER -112.86 -51.76 2.82 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 771' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 3.0 p 84.42 -56.32 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.684 0.278 . . . . 0.0 110.911 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 772' ' ' ARG . . . . . 0.48 ' NH1' ' CD ' ' A' 1524 ' ' GLN . 58.8 mtt180 -86.26 132.66 33.94 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.661 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.9 mp -128.88 97.41 26.93 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -46.0 135.21 14.44 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.519 2.146 . . . . 0.0 112.367 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.27 150.3 72.61 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.468 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.18 162.23 41.11 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.392 2.062 . . . . 0.0 112.397 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.3 165.24 29.42 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.726 2.284 . . . . 0.0 111.696 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -88.23 -91.91 1.07 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -80.84 149.38 67.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1000 ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' 1001 ' ' MET . 77.0 Cg_exo -39.27 -65.15 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.461 2.107 . . . . 0.0 112.305 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1001 ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' 1000 ' ' PRO . 31.5 mtt 56.02 113.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -157.72 106.6 0.29 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 13.9 m -67.19 -161.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.354 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 24.7 t0 -162.89 -6.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -61.07 -69.42 0.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 13.1 mm100 54.93 82.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 13.0 mm -60.42 129.9 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -70.52 99.64 1.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -71.82 -166.9 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -162.59 58.47 0.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1498 ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' 1499 ' ' CYS . 7.6 pt-20 -47.24 -40.13 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.722 0.296 . . . . 0.0 110.445 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1499 ' ' CYS . . . . . 0.53 ' SG ' ' N ' ' A' 1500 ' ' ASP . 41.6 t 55.48 163.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.436 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1500 ' ' ASP . . . . . 0.53 ' N ' ' SG ' ' A' 1499 ' ' CYS . 3.6 m-20 -85.92 123.03 30.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.329 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 66.3 mttm -141.57 -103.67 0.14 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' 1504 ' ' LEU . . . -165.53 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.0 t80 -39.48 -27.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.013 0.435 . . . . 0.0 110.961 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' 1502 ' ' ALA . 18.6 mt -53.64 -37.11 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.33 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1505 ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' 1506 ' ' GLU . 26.7 p-10 -46.58 -47.48 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1506 ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' 1505 ' ' ASP . 33.4 tt0 -55.81 -60.74 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.607 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1507 ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' 1511 ' ' HIS . 12.9 mt -51.04 -47.25 61.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 79.6 t -55.37 -56.14 13.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.297 0.57 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1509 ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' 1512 ' ' ARG . 25.7 tp10 -53.67 -44.68 69.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.413 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.8 tp -47.59 -61.81 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' 1507 ' ' LEU . 2.3 m-70 -38.99 -41.26 0.75 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.786 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' 1509 ' ' GLU . 13.6 mtm180 -64.86 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.417 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -41.19 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' 1512 ' ' ARG . 4.7 mt -75.23 -36.65 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.344 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 1512 ' ' ARG . 13.4 mtp -65.51 -30.8 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.1 m -91.66 46.94 1.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.621 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.01 130.81 56.93 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -154.36 67.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1520 ' ' ARG . 29.2 mt-10 -133.38 -6.08 2.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' 1522 ' ' ILE . 47.9 mtm180 48.64 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 37.5 t-80 72.89 -33.47 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' 1520 ' ' ARG . 45.3 mt -84.59 -41.47 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' 1527 ' ' VAL . 53.9 mt -45.79 -34.16 3.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1524 ' ' GLN . . . . . 0.48 ' CD ' ' NH1' ' A' ' 772' ' ' ARG . 48.8 tt0 -66.83 -25.46 66.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.69 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1525 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1522 ' ' ILE . 56.4 mm-40 -90.02 -4.6 57.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 98.9 mt -105.32 -25.78 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.463 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1527 ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' 1523 ' ' LEU . 48.3 t -90.95 -47.64 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 26.6 tp -51.53 -49.91 61.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.635 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' 1530 ' ' ILE . 1.4 mp -74.52 -38.14 45.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.186 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -41.1 -47.47 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.744 0.307 . . . . 0.0 110.848 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.38 -21.98 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' 1534 ' ' GLY . 0.0 OUTLIER -128.99 106.99 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . -47.37 178.04 0.01 OUTLIER Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1535 ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' 1534 ' ' GLY . 53.8 t60 111.12 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.47 0.708 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 55.4 p90 -139.88 134.53 31.78 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 31.6 m80 -89.22 125.77 35.22 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.5 tp -108.77 148.93 12.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.084 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.59 146.18 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.017 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 6.3 m120 -69.65 3.72 2.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1541 ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' 1542 ' ' THR . 77.7 p -138.91 -5.1 1.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.403 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.47 HG22 ' N ' ' A' 1543 ' ' PHE . 87.8 m -168.41 156.56 8.38 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1543 ' ' PHE . . . . . 0.47 ' N ' HG22 ' A' 1542 ' ' THR . 0.0 OUTLIER -159.98 125.86 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1544 ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' 1544 ' ' ASP . 9.6 p-10 -135.34 -170.93 2.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.23 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -174.3 173.6 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.347 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -114.41 118.85 35.0 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.081 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.719 ' H ' HD12 ' A' 1547 ' ' LEU . 0.1 OUTLIER -87.92 -10.23 51.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 11.7 p -92.23 7.85 40.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.536 ' CB ' ' NE2' ' A' 1535 ' ' HIS . 49.5 m -106.53 -51.89 2.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.493 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.65 165.85 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.25 154.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.534 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -70.92 -16.49 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.663 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 41.4 p -66.9 -42.01 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 24.6 m -56.91 -35.62 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.534 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.2 t -71.09 -38.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.791 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.94 -54.31 27.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.44 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 61.7 mt -49.55 -59.78 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -41.97 15.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.9 t -52.87 -66.5 0.37 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.845 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' 1563 ' ' GLU . 1.4 m-85 -53.32 -36.84 61.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.67 -1.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1563 ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' 1561 ' ' TYR . 43.1 mt-10 -140.94 67.15 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.34 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 2.4 p -76.28 -36.59 58.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.142 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 62.8 p -59.14 -91.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 160.24 73.28 0.02 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 68.8 p -50.19 175.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.532 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 738' ' ' ARG . . . . . 0.4 HH11 ' HB3' ' A' ' 738' ' ' ARG . 24.3 mtm105 -51.25 154.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 5.6 tp 48.93 70.66 1.95 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.8 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.87 165.7 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.709 2.272 . . . . 0.0 112.265 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.401 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 11.9 mt 47.47 57.18 17.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 742' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 40.4 Cg_endo -68.11 -164.57 0.1 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.722 2.281 . . . . 0.0 111.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 18.8 tp -149.59 -65.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -76.88 170.77 15.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 745' ' ' ASP . 17.0 p-10 -166.63 116.96 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 47.3 p -76.42 -115.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -140.08 74.59 1.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 748' ' ' LEU . 8.7 mp -78.5 -85.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.403 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 749' ' ' LEU . 1.5 tt -171.58 84.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.149 0.5 . . . . 0.0 110.508 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 750' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.0 OUTLIER 179.74 -46.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.305 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 750' ' ' SER . 37.2 Cg_exo -56.23 114.42 1.89 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.609 2.206 . . . . 0.0 112.259 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 10.3 mt 52.56 67.8 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.514 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -98.51 7.93 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 754' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 755' ' ' THR . 43.9 t0 -149.94 82.38 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.678 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 754' ' ' ASP . 2.6 p 58.3 146.52 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.774 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.36 162.37 42.63 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.377 2.051 . . . . 0.0 112.245 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -39.21 102.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 122.841 2.36 . . . . 0.0 111.968 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -48.02 127.61 15.15 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.494 2.129 . . . . 0.0 112.254 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -138.06 55.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 8.0 t -154.87 -133.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.277 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.7 128.72 39.57 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.83 117.6 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.687 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.96 121.9 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.986 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' LYS . . . . . 0.449 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.0 OUTLIER -130.76 127.42 38.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.122 0.487 . . . . 0.0 110.58 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 765' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 765' ' ' ILE . 2.7 mp -106.55 114.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 766' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 767' ' ' LEU . 58.9 m -48.18 161.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.559 ' N ' HG22 ' A' ' 766' ' ' THR . 3.5 mm? -87.19 -43.36 12.29 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -51.66 -20.47 2.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 32.7 mt -100.16 10.51 41.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 110.833 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 16.0 mt -114.93 145.55 42.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 0.0 110.394 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 15.8 m -108.61 -20.6 13.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.546 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -127.09 139.86 52.69 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.178 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 773' ' ' ILE . 4.0 mp -127.53 108.39 20.91 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -45.0 131.41 10.74 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -75.35 146.12 80.79 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 776' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 777' ' ' PRO . 36.2 Cg_endo -65.1 112.73 2.14 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.71 2.273 . . . . 0.0 112.167 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 777' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 776' ' ' PRO . 52.6 Cg_exo -48.18 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.474 2.116 . . . . 0.0 112.348 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -53.6 -73.0 0.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' 1000 ' ' PRO . 5.7 ptmm? -158.85 77.59 3.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.457 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1000 ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 779' ' ' LYS . 50.0 Cg_exo -51.23 -167.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.636 2.224 . . . . 0.0 112.062 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 8.9 tpt -150.73 -44.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 82.74 113.02 0.48 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 84.6 p -77.07 160.48 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.51 168.94 10.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.519 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 52.1 tttm -78.66 112.96 16.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -133.69 -174.63 3.57 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 67.7 mt 48.78 84.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -73.22 101.59 3.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 9.2 m120 -75.44 -29.43 59.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 77.08 -166.2 53.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.68 154.67 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 110.453 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1499 ' ' CYS . . . . . 0.578 ' C ' ' H ' ' A' 1501 ' ' LYS . 20.2 t -133.92 108.79 8.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.249 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1500 ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' 1502 ' ' ALA . 6.3 t0 69.43 -21.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.448 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.578 ' H ' ' C ' ' A' 1499 ' ' CYS . 0.8 OUTLIER 69.63 -35.25 0.31 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' 1500 ' ' ASP . . . -88.67 -13.74 39.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.37 -30.1 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 39.9 mt -54.82 -32.76 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -46.92 -44.55 19.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.511 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.42 -52.66 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 6.9 mt -47.93 -49.83 28.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 75.6 t -57.67 -52.4 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.378 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -14.91 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.25 -44.32 21.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.3 t60 -53.79 -40.29 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.107 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' 1515 ' ' MET . 53.3 ttp180 -65.7 -70.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.919 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -37.92 -29.91 0.03 OUTLIER 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1516 ' ' THR . 14.2 mt -80.21 -39.03 29.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.6 ttm -60.82 76.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.644 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1516 ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' 1514 ' ' LEU . 16.7 p 55.84 83.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.86 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.695 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -153.04 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.462 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.036 0.446 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 54.44 42.77 31.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -150.93 6.11 0.51 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 14.6 pt -103.67 -4.47 9.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 110.334 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.4 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.81 -6.08 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -107.66 -25.73 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 87.2 mt -79.02 -44.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.741 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.5 t -56.95 -44.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.109 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 3.8 m120 -63.06 -36.8 84.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.607 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.67 -48.52 77.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.49 -36.06 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -55.73 -26.72 46.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.1 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.07 -39.23 19.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.223 0.535 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' 1534 ' ' GLY . 78.5 p -69.53 -80.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.759 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . 136.14 168.82 11.6 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1535 ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' 1534 ' ' GLY . 2.1 t-160 77.99 52.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.473 -0.428 . . . . 0.0 110.805 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -143.4 135.85 27.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -89.7 128.26 36.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.41 146.97 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.583 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -153.54 143.41 21.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 109.902 178.29 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.88 3.44 1.98 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 3.0 p -134.7 -10.57 2.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.9 t -167.35 156.63 10.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.266 0.555 . . . . 0.0 110.61 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1543 ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' 1543 ' ' PHE . 0.0 OUTLIER -157.68 125.53 5.34 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 3.7 p30 -135.66 -168.76 2.26 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -170.2 166.76 8.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.377 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1546 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1546 ' ' ASP . 0.6 OUTLIER -112.27 109.51 19.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.371 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 7.3 mt -78.37 -6.05 54.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.061 0.458 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 27.6 p -76.09 8.49 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 41.0 t -134.43 -36.04 0.89 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.88 142.14 58.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -46.9 153.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -12.3 60.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.548 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 61.3 p -67.4 -51.45 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.9 m -53.04 -44.44 67.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.368 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 12.3 t -66.13 -41.1 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.677 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -63.02 -39.08 93.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 110.694 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.36 -44.75 74.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.974 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.05 -68.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.48 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' 1562 ' ' LEU . 5.8 pt20 -43.55 -39.19 3.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.234 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1560 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1564 ' ' THR . 1.2 t -48.5 -57.23 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1561 ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 -34.67 76.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1562 ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' 1559 ' ' GLN . 97.1 mt -60.03 -10.73 4.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -175.43 47.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1564 ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' 1560 ' ' SER . 5.1 t -66.41 -18.24 65.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 5.2 t 60.04 -153.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -75.58 87.33 0.83 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 89.8 m -63.91 -82.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.861 0.362 . . . . 0.0 110.558 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.629 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.54 102.58 5.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.6 70.98 17.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.74 -71.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.949 2.432 . . . . 0.0 111.828 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 0.6 OUTLIER -98.31 -44.46 0.24 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 742' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 47.0 Cg_exo -54.55 106.67 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.331 2.021 . . . . 0.0 111.908 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 743' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 743' ' ' LEU . 1.6 tt -158.12 -61.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.41 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 744' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 746' ' ' THR . 11.0 ttm180 -69.71 -28.28 65.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.617 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -66.8 91.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.646 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 744' ' ' ARG . 0.3 OUTLIER -161.82 9.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -140.09 112.74 7.98 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.96 0.409 . . . . 0.0 110.602 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 748' ' ' LEU . 8.3 mp -78.02 -13.88 59.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.64 -138.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 750' ' ' SER . . . . . 0.553 ' H ' ' HD2' ' A' ' 751' ' ' PRO . 0.0 OUTLIER -177.33 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.206 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 750' ' ' SER . 40.9 Cg_exo -55.73 144.83 74.53 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.518 2.145 . . . . 0.0 111.765 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 752' ' ' LEU . 0.3 OUTLIER 71.29 96.62 0.07 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -143.84 -4.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.555 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -155.62 163.81 39.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 9.2 m 59.17 72.56 0.79 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.53 161.31 31.35 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.412 2.074 . . . . 0.0 112.34 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.91 149.45 0.76 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.376 2.051 . . . . 0.0 112.539 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.0 7.2 2.56 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.594 2.196 . . . . 0.0 111.977 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 58.76 -101.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.423 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 23.3 t 44.45 -138.19 0.4 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.512 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' LEU . . . . . 0.417 HD23 ' HD1' ' A' 1511 ' ' HIS . 4.7 mp -133.59 135.31 44.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 60.9 mtp -128.35 119.63 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.704 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.66 122.25 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.75 124.86 36.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.19 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 71.2 mt -106.27 114.19 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 4.7 m -45.57 148.47 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 769' ' ' LEU . 4.0 mm? -83.15 -33.53 26.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 768' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.9 OUTLIER -57.31 -5.58 0.32 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 769' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 767' ' ' LEU . 48.7 mt -117.23 15.93 14.89 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 6.3 mt -123.87 156.74 35.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 50.5 m -112.61 -64.57 1.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.725 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -91.69 133.51 35.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.86 129.41 24.03 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.84 145.21 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.551 2.168 . . . . 0.0 112.346 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -64.04 141.16 98.02 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.253 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.04 107.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 122.561 2.174 . . . . 0.0 112.338 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.8 123.53 6.39 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.57 2.18 . . . . 0.0 111.855 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -74.44 115.86 4.97 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 40.1 tttp 42.37 79.64 0.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.522 0.201 . . . . 0.0 110.927 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1000 ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' 1001 ' ' MET . 60.1 Cg_endo -78.16 27.97 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.564 2.176 . . . . 0.0 112.05 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1001 ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' 1000 ' ' PRO . 7.9 ptm 31.1 -121.94 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.544 0.528 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 77.65 53.46 5.01 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 24.3 p -77.56 175.81 9.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.655 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -70.82 -177.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.281 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 57.3 mttm -114.41 10.64 17.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 24.7 mm100 54.31 -103.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 20.1 tt -48.8 160.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.342 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.611 ' CG ' ' H ' ' A' 1496 ' ' ASN . 7.0 ptmt -147.67 -69.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.754 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1496 ' ' ASN . . . . . 0.611 ' H ' ' CG ' ' A' 1495 ' ' LYS . 14.6 t-20 49.36 104.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 71.04 107.39 0.04 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1498 ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' 1499 ' ' CYS . 13.4 pt-20 -81.43 -5.06 57.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1499 ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' 1498 ' ' GLU . 55.5 m 56.64 114.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1500 ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' 1502 ' ' ALA . 1.0 OUTLIER -142.2 -72.55 0.32 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.422 ' H ' ' CG ' ' A' 1500 ' ' ASP . 3.3 ttmp? 54.33 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' 1500 ' ' ASP . . . -160.63 -11.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1503 ' ' TYR . . . . . 0.429 ' H ' ' H ' ' A' 1502 ' ' ALA . 51.5 t80 -50.72 -41.62 56.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.775 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.37 -26.43 7.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -49.85 -39.12 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -69.76 -60.34 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1507 ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' 1507 ' ' LEU . 55.6 mt -48.3 -47.63 36.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 54.9 t -57.13 -59.22 3.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.04 -29.06 67.0 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.805 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.72 -53.14 29.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1511 ' ' HIS . . . . . 0.417 ' HD1' HD23 ' A' ' 761' ' ' LEU . 9.6 t-160 -40.6 -43.7 1.96 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.38 0.609 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' 1515 ' ' MET . 41.4 ttt85 -64.89 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -42.11 -26.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' 1512 ' ' ARG . 31.6 mt -76.03 -35.57 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' 1512 ' ' ARG . 6.4 mmt -64.04 -14.64 55.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.343 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 5.1 m -64.32 -44.35 91.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.291 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 24.8 tp 58.06 -97.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 54.55 52.03 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -169.3 177.61 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.557 ' O ' ' CG ' ' A' 1521 ' ' HIS . 4.8 ptp180 -176.5 67.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1521 ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' 1520 ' ' ARG . 5.9 m80 -174.5 -17.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.412 HG21 HD13 ' A' 1522 ' ' ILE . 8.0 mt -98.56 -22.01 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.161 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.6 mt -52.38 -32.19 37.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1524 ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' 1528 ' ' ASN . 9.0 pt20 -60.52 -8.0 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.637 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1525 ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' 1529 ' ' LEU . 57.2 mt-30 -105.25 -42.36 5.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.59 -53.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 41.3 t -55.93 -44.07 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.983 0.42 . . . . 0.0 110.613 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1528 ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1524 ' ' GLN . 1.3 m-20 -62.67 -48.22 80.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -48.37 -55.93 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.708 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1530 ' ' ILE . . . . . 0.442 ' O ' ' OG1' ' A' 1533 ' ' THR . 20.5 mm -67.61 -38.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.314 0.578 . . . . 0.0 110.807 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -46.71 -39.85 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.686 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.31 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' 1534 ' ' GLY . 53.4 p -59.81 -97.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 145.9 6.21 0.41 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 23.1 m170 -120.78 59.73 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 20.5 p90 -142.35 133.29 25.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 19.6 m80 -90.45 129.13 36.67 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.4 146.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.225 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -153.65 144.82 22.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.89 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -67.38 1.92 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1541 ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' 1542 ' ' THR . 12.1 p -141.44 0.44 1.48 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' 1539 ' ' THR . 20.9 m -167.99 147.27 4.74 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-O 120.939 0.399 . . . . 0.0 110.661 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.11 120.1 4.03 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -136.09 -168.72 2.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.456 0.646 . . . . 0.0 110.793 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 9.6 p90 -173.06 171.78 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.403 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1546 ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' 1546 ' ' ASP . 14.0 p-10 -119.0 112.43 19.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.151 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -79.52 -3.66 47.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.105 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 18.7 t -67.13 -12.9 61.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 70.1 m -104.19 -54.48 2.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.876 0.37 . . . . 0.0 110.648 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 19.7 mt -42.69 139.84 1.48 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -46.09 155.24 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.359 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -65.67 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.659 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 29.5 p -71.6 -31.93 67.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.376 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 8.8 m -57.67 -57.69 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 5.1 m -60.49 -39.32 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1556 ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' 1560 ' ' SER . 37.1 ttm180 -61.57 -42.9 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.23 0.538 . . . . 0.0 110.45 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -68.21 -47.25 68.39 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.42 0.629 . . . . 0.0 110.57 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.55 -61.25 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1559 ' ' GLN . . . . . 0.421 ' O ' ' OE2' ' A' 1563 ' ' GLU . 77.7 mt-30 -44.17 -38.19 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.147 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1560 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.3 m -53.51 -72.11 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -45.86 -37.89 6.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 110.404 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1562 ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 3.0 mt -59.73 -47.66 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.826 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1563 ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' 1564 ' ' THR . 0.5 OUTLIER -69.74 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.262 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1564 ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' 1563 ' ' GLU . 20.2 p 50.97 74.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.438 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 58.0 m -155.61 84.47 1.04 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 179.2 -32.5 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 76.0 p -60.57 169.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.509 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -155.59 88.96 1.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.3 OUTLIER -157.7 50.68 0.43 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 740' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 30.4 Cg_endo -62.62 145.65 95.24 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.699 2.266 . . . . 0.0 111.48 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 tp -150.11 60.15 4.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.349 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.95 -45.17 0.74 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.663 2.242 . . . . 0.0 111.962 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 743' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 744' ' ' ARG . 6.7 tp 43.88 89.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.566 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 744' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 743' ' ' LEU . 17.6 mmt180 55.9 111.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -72.18 8.97 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 744' ' ' ARG . 73.7 m -93.15 -80.8 0.37 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 747' ' ' LYS . . . . . 0.432 ' HZ1' HD21 ' A' ' 749' ' ' LEU . 4.1 mtmp? 52.99 97.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 748' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 748' ' ' LEU . 5.9 mp -76.92 96.95 4.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.432 HD21 ' HZ1' ' A' ' 747' ' ' LYS . 18.4 mt -85.38 44.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 2.7 p -49.39 151.01 2.9 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.625 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.04 156.97 63.57 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.625 2.216 . . . . 0.0 111.656 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 753' ' ' ARG . 0.3 OUTLIER -103.73 73.62 1.19 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.954 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 752' ' ' LEU . 27.8 ttm180 54.09 104.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.52 132.93 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 7.1 p -97.28 148.95 35.16 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.656 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.18 116.25 3.92 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.154 1.903 . . . . 0.0 111.84 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.09 161.62 32.44 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.929 1.753 . . . . 0.0 112.172 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.84 -62.7 0.31 Allowed 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 122.813 2.342 . . . . 0.0 112.124 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 60.92 74.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.324 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 10.2 m -137.03 -127.23 0.14 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.46 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.42 133.63 46.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 53.7 mmm -127.23 118.18 23.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.68 125.19 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -127.23 124.77 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.3 mt -107.21 117.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.1 m -37.15 102.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.741 ' O ' HD22 ' A' ' 770' ' ' LEU . 5.7 tt -73.97 -7.74 53.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.099 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.83 -30.68 71.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 21.3 mt -112.49 31.09 6.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.326 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.902 HD23 ' H ' ' A' ' 771' ' ' SER . 1.0 OUTLIER -77.77 -38.85 45.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.52 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 771' ' ' SER . . . . . 0.902 ' H ' HD23 ' A' ' 770' ' ' LEU . 1.2 m 76.75 -76.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -81.51 124.8 29.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 770' ' ' LEU . 2.3 mp -114.99 130.21 24.4 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.42 134.02 27.66 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.096 1.864 . . . . 0.0 111.495 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 775' ' ' GLN . 1.7 pm0 -51.54 140.49 26.31 Favored Pre-proline 0 N--CA 1.445 -0.718 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.572 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 776' ' ' PRO . . . . . 0.482 ' N ' ' HD2' ' A' ' 777' ' ' PRO . 27.7 Cg_exo -47.37 -48.51 15.04 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.184 1.923 . . . . 0.0 112.676 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 777' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 776' ' ' PRO . 58.0 Cg_endo -70.76 177.2 6.53 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.95 1.767 . . . . 0.0 112.307 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 96.94 69.16 0.98 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -133.49 57.26 25.06 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.417 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.67 -164.59 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.736 2.291 . . . . 0.0 111.937 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 13.3 mmt -69.13 108.68 3.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -93.59 -77.13 1.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 75.8 m -77.59 175.08 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.534 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1491 ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' 1492 ' ' LYS . 22.8 t70 -170.78 106.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1492 ' ' LYS . . . . . 0.48 ' CD ' ' N ' ' A' 1492 ' ' LYS . 3.0 mptp? 57.48 143.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1493 ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' 1494 ' ' ILE . 0.3 OUTLIER -151.12 -36.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1494 ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' 1494 ' ' ILE . 1.7 mp 55.51 111.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.219 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 49.4 mttp -68.17 -152.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' 1496 ' ' ASN . 6.9 p30 41.13 92.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.715 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 169.56 136.92 2.15 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 53.49 -174.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 59.8 m -150.13 -159.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -172.34 76.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' 1503 ' ' TYR . 66.9 mmtt -115.69 128.21 55.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 71.17 -28.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1503 ' ' TYR . . . . . 0.542 ' H ' ' C ' ' A' 1501 ' ' LYS . 30.0 t80 -45.65 -41.3 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.727 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' 1504 ' ' LEU . 0.2 OUTLIER -44.96 -16.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1505 ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' 1503 ' ' TYR . 90.3 m-20 -56.71 -54.71 43.01 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.976 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.68 -33.87 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.721 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -45.27 80.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1508 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1504 ' ' LEU . 48.8 t -57.48 -49.08 81.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 121.21 0.529 . . . . 0.0 109.79 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -58.12 -45.64 86.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.0 tp -49.0 -48.04 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.041 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' HIS . . . . . 0.409 ' O ' ' ND1' ' A' 1511 ' ' HIS . 1.5 t60 -49.9 -41.15 45.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' 1515 ' ' MET . 92.8 mtt180 -63.63 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.068 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -40.88 -29.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.431 HD21 HD12 ' A' 1558 ' ' LEU . 7.9 mt -75.32 -39.19 59.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.087 0.47 . . . . 0.0 110.685 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' 1512 ' ' ARG . 32.6 ttm -63.5 -48.6 76.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 4.3 m -82.51 49.02 1.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 111.161 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' 1517 ' ' LEU . 1.4 pp -49.4 177.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.552 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1518 ' ' ARG . . . . . 0.666 ' N ' ' NE ' ' A' 1518 ' ' ARG . 0.0 OUTLIER -165.97 25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.642 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -172.02 145.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.268 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' 1522 ' ' ILE . 1.5 mpt_? -100.68 -165.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 9.7 t-80 70.44 -21.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.551 ' H ' ' C ' ' A' 1520 ' ' ARG . 95.6 mt -87.83 -40.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.88 -37.97 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1524 ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' A' ' 770' ' ' LEU . 47.5 mm-40 -73.04 -28.25 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1525 ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' 1522 ' ' ILE . 28.3 mt-30 -78.0 -10.56 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.718 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1526 ' ' ILE . . . . . 0.438 HG12 HD11 ' A' 1558 ' ' LEU . 89.6 mt -99.79 -48.16 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.7 t -56.35 -45.66 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.944 0.402 . . . . 0.0 111.017 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -64.12 -49.65 71.35 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.976 0.417 . . . . 0.0 110.645 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 4.3 tp -48.77 -36.27 16.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 46.4 mm -80.85 -28.04 11.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.032 0.444 . . . . 0.0 110.486 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -58.7 -29.2 66.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.093 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.82 -37.36 67.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' 1534 ' ' GLY . 64.7 p -54.1 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 156.51 -43.69 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -78.6 62.8 3.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.939 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -143.34 133.52 24.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -96.95 134.24 40.56 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.249 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -109.51 146.73 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 767' ' ' LEU . 0.2 OUTLIER -152.64 142.71 22.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.154 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.9 5.13 1.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.738 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 82.4 p -131.06 -15.8 3.28 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -167.57 162.82 14.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.223 0.535 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.94 127.28 5.19 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1544 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1544 ' ' ASP . 35.4 p-10 -137.83 -169.47 2.56 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -170.09 169.39 8.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.516 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -110.81 107.39 16.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.11 -7.03 51.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 60.5 m -84.15 9.01 13.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.636 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.4 m -127.49 -24.62 3.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 14.2 mt -83.72 171.4 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.577 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.94 153.64 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.73 -11.4 60.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 82.3 p -66.96 -52.43 42.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 7.4 p -53.62 -38.41 64.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.052 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.5 t -69.27 -40.24 80.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.916 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -61.71 -38.44 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.6 -57.56 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' LEU . . . . . 0.438 HD11 HG12 ' A' 1526 ' ' ILE . 3.6 mm? -46.44 -56.83 5.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.025 0.44 . . . . 0.0 111.073 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1559 ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' 1559 ' ' GLN . 0.1 OUTLIER -48.37 -44.48 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.246 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 6.9 t -52.52 -72.26 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.971 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.4 OUTLIER -50.89 -36.85 40.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.31 -19.4 61.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.559 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -141.02 79.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 47.0 m -135.36 75.75 1.58 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.9 t -69.33 135.48 50.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 62.15 -160.69 30.73 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 31.1 m -76.69 -24.81 53.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.795 0.331 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.677 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 738' ' ' ARG . 2.7 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' ARG . . . . . 0.494 ' H ' HG22 ' A' ' 1' ' ' THR . 55.8 mtp85 43.09 63.17 1.58 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.354 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.03 145.65 99.01 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -38.51 155.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.153 0 C-N-CA 122.319 2.012 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 742' ' ' PRO . 0.8 OUTLIER 171.55 -52.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.186 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 742' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 741' ' ' LEU . 66.1 Cg_endo -75.73 128.19 10.74 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.776 1.651 . . . . 0.0 112.24 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 46.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.69 38.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.133 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -74.03 121.18 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 28.4 p -150.92 109.63 3.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 54.29 174.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.64 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.683 HD13 ' H ' ' A' ' 750' ' ' SER . 0.1 OUTLIER -93.31 144.53 25.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.971 0.415 . . . . 0.0 109.96 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 750' ' ' SER . . . . . 0.683 ' H ' HD13 ' A' ' 749' ' ' LEU . 3.0 p -137.32 149.42 65.63 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 750' ' ' SER . 73.2 Cg_exo -40.24 168.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 122.574 2.183 . . . . 0.0 112.171 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.08 178.53 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.282 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -93.32 -57.57 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.507 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 755' ' ' THR . 31.8 t0 -55.53 150.35 12.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 754' ' ' ASP . 7.5 m -153.06 75.4 6.7 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.85 156.68 3.12 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.77 2.314 . . . . 0.0 112.198 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.51 121.66 8.41 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.068 1.846 . . . . 0.0 111.926 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -43.95 -44.8 11.89 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.274 1.983 . . . . 0.0 112.575 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' GLN . . . . . 0.566 ' CD ' ' H ' ' A' ' 759' ' ' GLN . 1.6 pm0 -97.54 169.02 10.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 760' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 1.8 t -163.55 -89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 761' ' ' LEU . . . . . 0.447 ' N ' ' OG ' ' A' ' 760' ' ' SER . 0.1 OUTLIER -155.74 119.7 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.134 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.04 150.06 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.092 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 36.1 t -102.92 123.97 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -127.85 123.63 35.57 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.155 0.502 . . . . 0.0 109.738 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 770' ' ' LEU . 56.5 mt -106.57 119.38 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.997 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 766' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 765' ' ' ILE . 0.2 OUTLIER -40.38 163.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 -179.364 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 767' ' ' LEU . 0.5 OUTLIER -96.35 -28.31 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.797 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 768' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 768' ' ' ASP . 0.4 OUTLIER -82.07 -32.31 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.8 -178.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 769' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 769' ' ' LEU . 3.6 mm? -78.43 -14.71 59.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.939 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 765' ' ' ILE . 0.2 OUTLIER -79.58 -44.27 21.39 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.007 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 771' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 4.3 p 86.52 -41.74 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.032 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 772' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 770' ' ' LEU . 4.9 tpt180 -116.59 154.36 30.62 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.717 ' N ' HD12 ' A' ' 773' ' ' ILE . 0.1 OUTLIER -129.54 108.04 17.33 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.778 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.22 131.73 22.62 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.259 1.973 . . . . 0.0 112.067 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -51.31 149.35 7.42 Favored Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.358 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.5 149.45 74.52 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.006 1.804 . . . . 0.0 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.81 163.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.4 2.067 . . . . 0.0 112.087 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -108.69 -87.99 1.93 Allowed Glycine 0 N--CA 1.466 0.69 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' A' 1000 ' ' PRO . 5.9 ttpm? -171.8 51.77 0.15 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.568 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1000 ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 779' ' ' LYS . 56.9 Cg_endo -69.85 -167.55 0.23 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.708 2.272 . . . . 0.0 111.935 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 24.6 ptm -82.31 134.98 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -80.13 -105.53 0.27 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 38.6 m 50.21 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.552 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -159.62 -53.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.55 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 62.9 mttm 54.16 103.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.478 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -172.28 146.2 1.82 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 12.5 pt -146.92 169.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 90.23 3.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.6 -49.94 15.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.481 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -168.49 -23.8 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -69.02 166.78 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.532 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 5.5 p -167.85 -107.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -165.19 53.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' 1502 ' ' ALA . 9.3 tptp -77.61 98.74 5.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 72.03 -36.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.632 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1503 ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' 1501 ' ' LYS . 35.8 t80 -42.21 -20.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 111.088 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' 1502 ' ' ALA . 2.2 pp -68.87 -33.31 73.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.279 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1505 ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' 1506 ' ' GLU . 2.2 p30 -50.66 -43.83 57.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1506 ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' 1505 ' ' ASP . 36.4 tp10 -62.15 -49.38 76.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.57 -42.54 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.672 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 53.0 t -60.4 -51.33 74.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.23 0.538 . . . . 0.0 110.328 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.58 -46.68 86.43 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.474 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.4 tp -47.03 -63.97 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1511 ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' 1510 ' ' LEU . 4.3 t-80 -31.52 -40.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.593 0.558 . . . . 0.0 110.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.9 mtp85 -66.49 -72.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.651 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -40.5 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' 1512 ' ' ARG . 11.9 mt -84.24 -35.87 23.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' 1515 ' ' MET . 0.0 OUTLIER -64.33 78.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.703 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1516 ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' 1514 ' ' LEU . 3.9 m 50.45 83.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.621 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.25 -76.09 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.233 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -171.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -83.84 145.25 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -71.13 -151.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.411 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1521 ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' 1523 ' ' LEU . 26.9 m80 46.95 -172.87 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 17.5 mt 64.11 -41.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 123.339 0.399 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1521 ' ' HIS . 18.5 mt -51.7 -44.77 63.27 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -72.01 -37.04 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -69.3 -13.88 62.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1526 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 1526 ' ' ILE . 78.0 mt -102.68 -12.94 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1527 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' 1523 ' ' LEU . 42.4 t -91.43 -50.09 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 110.337 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.24 -37.56 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 16.7 tp -51.67 -56.31 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.606 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' 1533 ' ' THR . 5.9 mm -70.0 -41.38 79.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.086 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -38.48 -49.58 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.47 -15.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.839 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.642 HG23 ' O ' ' A' 1530 ' ' ILE . 70.7 p -66.09 -27.36 68.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.555 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 80.2 21.42 65.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.61 74.33 1.51 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1536 ' ' PHE . . . . . 0.616 ' CZ ' ' CG ' ' A' 1545 ' ' PHE . 0.2 OUTLIER -138.7 127.46 23.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1537 ' ' HIS . . . . . 0.488 ' C ' HD12 ' A' 1538 ' ' ILE . 40.6 t-80 -95.54 124.74 39.71 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' 1537 ' ' HIS . 1.4 mp -108.53 148.41 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -148.57 142.38 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.35 0.88 3.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.02 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 24.4 p -126.11 -12.75 6.33 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -176.46 169.4 2.64 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 110.955 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -161.8 131.07 4.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -137.63 -172.53 3.25 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.206 0.527 . . . . 0.0 111.243 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1545 ' ' PHE . . . . . 0.616 ' CG ' ' CZ ' ' A' 1536 ' ' PHE . 1.9 p90 -167.45 164.29 14.97 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.49 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.65 118.01 31.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' 1547 ' ' LEU . 2.1 mp -87.51 -4.12 58.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.539 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 87.5 m -78.92 7.43 7.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.785 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 59.1 p -114.82 -17.48 11.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.705 0.288 . . . . 0.0 110.43 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 11.5 mt -89.37 167.46 13.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.614 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1551 ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' 1552 ' ' LYS . 14.7 t70 -74.06 173.41 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1552 ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' 1551 ' ' ASP . 0.0 OUTLIER -78.28 -15.23 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 -179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 20.4 p -62.63 -47.45 83.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.392 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 41.2 m -56.65 -44.45 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 50.8 t -58.85 -39.39 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -60.98 -41.96 97.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -64.16 -44.24 92.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.4 -65.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -43.36 -41.6 4.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.31 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1560 ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' 1561 ' ' TYR . 1.4 p -52.8 -62.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.537 ' N ' ' OG ' ' A' 1560 ' ' SER . 4.8 m-85 -60.08 -38.38 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.142 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.95 -62.06 2.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' 1563 ' ' GLU . 1.4 mp0 -92.55 -96.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.99 0.424 . . . . 0.0 110.217 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.76 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.16 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 42.0 t -170.29 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1566 ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' 1568 ' ' SER . . . 155.02 142.41 3.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 91.8 m 55.54 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1568 ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' 1566 ' ' GLY . 72.9 m . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 55.4 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -52.27 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 739' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 739' ' ' LEU . 36.4 mt -46.17 109.33 0.97 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.686 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.22 161.71 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.249 1.966 . . . . 0.0 112.34 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 17.8 tp 58.03 65.9 3.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.39 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.78 150.63 35.17 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.557 2.171 . . . . 0.0 111.954 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 743' ' ' LEU . 8.7 mp -58.52 -73.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.214 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -53.85 88.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.561 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 743' ' ' LEU . 46.7 m-20 -76.36 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 10.7 m -165.93 115.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 747' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 749' ' ' LEU . 74.6 mttt -145.18 -76.68 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 748' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 748' ' ' LEU . 3.9 mm? 50.28 11.38 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 747' ' ' LYS . 5.4 tp -79.95 144.15 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 750' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 751' ' ' PRO . 0.5 OUTLIER -169.44 -62.94 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.289 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 750' ' ' SER . 19.7 Cg_endo -58.15 -78.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.641 2.227 . . . . 0.0 111.972 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 751' ' ' PRO . 58.3 tp 56.47 116.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.399 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 -152.97 19.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.529 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 53.84 102.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 756' ' ' PRO . 0.1 OUTLIER -84.52 -45.18 0.72 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 756' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 755' ' ' THR . 65.2 Cg_exo -49.28 108.37 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.677 2.251 . . . . 0.0 112.148 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.65 156.49 1.16 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.339 2.026 . . . . 0.0 112.197 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.78 144.24 76.8 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.819 2.346 . . . . 0.0 111.909 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -160.07 40.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.428 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 17.0 m -164.47 -173.2 2.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.45 131.07 41.33 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 62.1 mtp -125.33 118.01 25.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.475 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.48 123.94 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.288 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -128.08 122.96 33.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 93.5 mt -106.61 118.63 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.947 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 6.1 m -37.23 113.21 0.24 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.577 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -53.07 -40.67 64.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.078 -178.765 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.98 -54.95 27.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.016 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.68 41.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 771' ' ' SER . 4.0 tt -118.03 138.15 52.4 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 770' ' ' LEU . 16.3 m -10.87 -94.84 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.235 0.96 . . . . 0.0 111.324 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -145.72 176.52 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.785 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 773' ' ' ILE . 1.8 mp -108.59 103.5 51.46 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.965 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 774' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 773' ' ' ILE . 68.6 Cg_exo -47.49 -178.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.898 2.398 . . . . 0.0 112.109 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -82.99 154.33 67.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.06 134.28 39.02 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.454 2.103 . . . . 0.0 112.194 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -75.28 -92.73 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.512 2.142 . . . . 0.0 112.234 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 163.1 -110.9 0.45 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 779' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' 1001 ' ' MET . 18.3 pttm -174.07 56.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.493 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1000 ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 779' ' ' LYS . 47.8 Cg_endo -69.21 11.6 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.668 2.245 . . . . 0.0 111.947 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1001 ' ' MET . . . . . 0.428 ' H ' ' C ' ' A' ' 779' ' ' LYS . 28.5 mtt 49.12 97.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.587 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -100.3 67.7 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 19.8 t -76.61 115.66 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.447 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -172.36 121.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -69.3 -29.22 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.616 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 63.18 119.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.327 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1494 ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' 1494 ' ' ILE . 3.3 mp -103.84 63.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -52.84 162.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -74.06 151.3 40.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -126.12 66.23 0.55 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.56 -175.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.394 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 1.7 p -70.41 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 93.2 m-20 50.47 54.35 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.11 26.1 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . -169.88 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1503 ' ' TYR . . . . . 0.615 ' CE1' ' NZ ' ' A' 1552 ' ' LYS . 44.5 t80 -52.96 -26.39 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.728 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.93 -27.68 32.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.333 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1505 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1505 ' ' ASP . 22.3 p-10 -48.47 -41.35 29.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.86 -57.81 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 45.6 mt -49.34 -44.24 44.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 89.2 t -57.31 -56.29 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.363 0.601 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -54.67 -43.65 72.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.523 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.74 -58.72 5.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -37.89 -41.64 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' 1515 ' ' MET . 15.2 mtp-105 -65.65 -72.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -39.95 -24.5 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' 1512 ' ' ARG . 44.9 mt -79.69 -36.65 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' 1512 ' ' ARG . 83.6 mmm -63.49 -60.23 3.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 82.2 p -79.91 50.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.69 154.41 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.811 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1518 ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' A' 1519 ' ' GLU . 3.1 tpt180 -140.01 -127.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' A' 1518 ' ' ARG . 41.7 mt-10 51.04 100.02 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' 1522 ' ' ILE . 17.2 mmm-85 -68.76 -165.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 15.7 t-80 73.73 -28.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' 1520 ' ' ARG . 90.6 mt -87.82 -40.0 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.342 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' 1523 ' ' LEU . 4.1 mm? -54.57 -42.27 70.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.882 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1524 ' ' GLN . . . . . 0.464 ' N ' ' OG ' ' A' ' 771' ' ' SER . 9.4 pt20 -64.42 -8.58 13.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.53 -5.18 17.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 94.0 mt -103.84 -49.54 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.412 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 49.1 t -58.51 -47.35 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1528 ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' 1528 ' ' ASN . 1.5 m-20 -63.97 -38.02 89.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.328 0.585 . . . . 0.0 110.503 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.31 -48.54 78.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.22 -30.31 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.966 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.19 -35.81 65.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.515 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 47.8 tp10 -65.89 -33.4 75.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' 1534 ' ' GLY . 31.4 p -57.34 -115.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.501 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 164.3 3.7 0.04 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 27.3 m80 -120.54 59.48 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.87 0.367 . . . . 0.0 110.783 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1536 ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' 1536 ' ' PHE . 5.4 p90 -144.25 133.82 23.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.5 132.85 36.47 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.991 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -110.42 144.43 18.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.276 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -151.99 141.11 21.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.786 178.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -68.24 3.67 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1541 ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' 1539 ' ' THR . 22.8 p -133.04 -11.25 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.4 t -168.86 160.02 9.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.189 0.519 . . . . 0.0 110.629 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.63 127.99 4.98 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.2 p30 -137.03 -169.19 2.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 10.6 p90 -169.91 167.09 9.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.332 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -115.33 110.77 19.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.0 -3.61 42.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1548 ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' 1548 ' ' CYS . 42.9 t -77.58 0.08 24.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 33.7 t -123.98 -40.82 2.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.46 141.41 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -40.97 150.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1552 ' ' LYS . . . . . 0.615 ' NZ ' ' CE1' ' A' 1503 ' ' TYR . 12.7 ttmm -71.55 -18.71 62.24 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.229 0.538 . . . . 0.0 110.682 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 18.3 p -62.65 -54.33 41.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.1 m -46.62 -41.44 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.3 t -61.54 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -64.24 -37.05 86.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.69 -55.98 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.307 0.575 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 86.0 mt -46.31 -60.74 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -45.51 -43.07 11.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1560 ' ' SER . . . . . 0.585 ' OG ' ' CD1' ' A' 1561 ' ' TYR . 6.1 p -48.89 -66.32 0.42 Allowed 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.154 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.585 ' CD1' ' OG ' ' A' 1560 ' ' SER . 0.9 OUTLIER -59.59 -34.52 72.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1562 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 1562 ' ' LEU . 0.2 OUTLIER -63.37 -37.07 85.84 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.207 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.45 80.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.333 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 17.9 p -97.3 110.68 23.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1565 ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' 1567 ' ' THR . 8.2 t -159.01 -72.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.604 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -78.91 26.01 2.48 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1567 ' ' THR . . . . . 0.409 ' H ' ' C ' ' A' 1565 ' ' SER . 10.4 m -57.03 113.33 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.524 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 56.4 173.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.291 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 38.1 mt -129.65 77.01 77.78 Favored Pre-proline 0 N--CA 1.464 0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.215 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.6 -70.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.807 2.338 . . . . 0.0 111.959 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.561 ' H ' HD22 ' A' ' 741' ' ' LEU . 3.7 mm? 43.97 70.09 2.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.366 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -48.55 -73.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.734 2.289 . . . . 0.0 111.792 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' LEU . . . . . 0.621 ' H ' HD12 ' A' ' 743' ' ' LEU . 9.2 mp 39.28 38.86 0.38 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -44.44 -18.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 743' ' ' LEU . 15.4 p30 -45.35 168.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.441 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 3.8 m 60.71 147.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 48.94 32.91 4.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 7.2 tp -82.35 134.14 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.378 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 749' ' ' LEU . 9.3 mp -71.26 157.87 37.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 91.6 p -171.38 75.74 0.52 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -48.82 -30.34 17.0 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.637 2.225 . . . . 0.0 112.062 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 752' ' ' LEU . 3.7 mm? -79.25 151.83 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.47 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -170.64 -51.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.533 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -110.03 -161.46 0.76 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.415 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.02 76.21 46.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.196 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 756' ' ' PRO . . . . . 0.474 ' N ' ' CD ' ' A' ' 757' ' ' PRO . 25.8 Cg_exo -51.22 -41.81 56.54 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 121.832 1.688 . . . . 0.0 112.32 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 757' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 756' ' ' PRO . 47.4 Cg_exo -56.34 158.8 14.44 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.746 1.631 . . . . 0.0 112.167 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.62 127.09 14.2 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.61 2.207 . . . . 0.0 111.535 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -147.67 137.75 22.91 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 13.4 t 52.12 -169.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.287 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.75 134.84 41.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.728 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 40.2 mtt -128.11 119.97 26.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' 1544 ' ' ASP . 28.9 t -70.04 129.03 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 764' ' ' LYS . . . . . 0.479 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.9 OUTLIER -130.19 123.71 30.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.926 0.393 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 765' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 765' ' ' ILE . 1.8 mp -104.4 118.2 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.888 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 766' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 768' ' ' ASP . 1.6 m -37.15 109.74 0.1 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.301 0.572 . . . . 0.0 111.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 770' ' ' LEU . 1.1 tp -67.95 5.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 768' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 766' ' ' THR . 1.1 m-20 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.36 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 15.4 mt -120.06 23.08 11.19 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 770' ' ' LEU . 0.0 OUTLIER -73.82 148.94 41.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 179.343 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 771' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 770' ' ' LEU . 81.2 p -15.21 -89.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 772' ' ' ARG . . . . . 0.43 ' N ' ' OG ' ' A' ' 771' ' ' SER . 0.1 OUTLIER -153.13 165.29 36.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.705 177.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 774' ' ' PRO . 0.0 OUTLIER -105.14 105.75 53.01 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.191 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 774' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 773' ' ' ILE . 86.5 Cg_exo -44.57 176.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.281 1.987 . . . . 0.0 112.252 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.27 138.63 88.54 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' PRO . . . . . 0.447 ' N ' ' CD ' ' A' ' 777' ' ' PRO . 20.6 Cg_exo -51.53 -43.15 52.11 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.33 1.353 . . . . 0.0 113.119 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 777' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 776' ' ' PRO . 51.6 Cg_exo -54.22 -166.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.1 1.867 . . . . 0.0 112.224 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 79.32 166.45 31.98 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -159.33 152.75 18.79 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.429 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.11 -162.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.531 2.154 . . . . 0.0 111.764 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 6.8 ptm -150.01 62.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 98.48 159.24 29.91 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 36.9 p -159.59 59.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.424 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -153.57 45.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 25.8 tptt -67.28 130.65 43.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' GLN . . . . . 0.624 ' CD ' ' H ' ' A' 1493 ' ' GLN . 0.1 OUTLIER -81.56 -168.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.259 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 16.2 tt -173.11 139.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.406 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -157.91 92.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.387 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 6.8 m120 -150.07 151.81 33.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 45.0 90.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.97 -52.48 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 26.0 p -149.75 58.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1500 ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' 1500 ' ' ASP . 14.2 p-10 -170.32 50.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.531 ' O ' ' HB3' ' A' 1502 ' ' ALA . 17.6 mmmt -88.34 -86.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 71.11 -37.24 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1503 ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' 1501 ' ' LYS . 39.4 t80 -46.07 -37.67 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.02 -28.88 7.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.362 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1505 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1502 ' ' ALA . 1.3 m-20 -50.87 -36.08 36.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -65.66 -49.45 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.78 -40.92 76.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.675 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 64.9 t -60.8 -50.4 80.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.594 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.77 -41.68 91.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.41 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.43 -53.1 60.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.268 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 27.9 t60 -40.44 -43.69 1.86 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.467 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.1 -68.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -43.19 -51.24 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.419 HD21 HD11 ' A' 1562 ' ' LEU . 13.8 mt -50.48 -36.79 35.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1515 ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.32 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.497 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.5 m -47.67 -68.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' 1517 ' ' LEU . 4.1 mm? -60.7 150.52 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.267 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1518 ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' 1519 ' ' GLU . 34.3 ptt-85 -169.33 37.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' 1518 ' ' ARG . 21.1 mt-10 -47.43 174.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.266 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' 1522 ' ' ILE . 19.2 mmt85 -101.6 173.46 6.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1521 ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' 1520 ' ' ARG . 4.9 m-70 71.01 -13.79 0.49 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.687 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' 1520 ' ' ARG . 5.5 pt -97.51 -38.4 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.345 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.24 -47.98 71.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.394 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1524 ' ' GLN . . . . . 0.601 ' CD ' ' H ' ' A' 1524 ' ' GLN . 0.0 OUTLIER -61.91 -15.36 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -104.51 -0.77 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.63 -44.88 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.258 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.8 t -69.06 -47.8 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.6 t30 -65.23 -46.39 80.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 6.8 tp -48.73 -41.28 31.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1530 ' ' ILE . . . . . 0.436 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.4 mp -76.45 -32.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -52.7 -35.63 55.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.44 -32.55 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.508 ' OG1' ' N ' ' A' 1534 ' ' GLY . 32.5 p -58.57 -113.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 110.726 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.508 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 163.62 2.91 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.91 59.88 0.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.5 p90 -145.74 136.0 23.9 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.527 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 76.1 t60 -94.72 132.94 38.94 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.1 mm -109.82 143.48 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.448 ' O ' HD22 ' A' ' 767' ' ' LEU . 0.3 OUTLIER -151.5 147.02 26.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -72.94 5.38 3.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.622 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 63.6 p -138.14 -2.8 1.82 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1539 ' ' THR . 4.7 t -173.99 156.9 2.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.135 0.493 . . . . 0.0 110.306 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.04 128.37 5.49 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1544 ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 2.2 p30 -137.55 -171.24 2.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.342 0.591 . . . . 0.0 110.899 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 3.5 p90 -163.88 163.91 23.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.904 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1546 ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' 1546 ' ' ASP . 1.6 m-20 -103.42 99.9 9.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.719 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 73.3 mt -71.0 -14.38 62.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.398 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 10.0 m -77.24 8.5 3.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 5.1 m -126.94 -45.77 1.57 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.77 142.31 50.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.543 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1551 ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' 1551 ' ' ASP . 1.1 m-20 -48.98 159.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.268 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1552 ' ' LYS . . . . . 0.609 ' CD ' ' H ' ' A' 1552 ' ' LYS . 0.0 OUTLIER -73.64 -11.66 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 80.4 p -69.15 -50.79 44.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.0 m -53.73 -47.16 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.055 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 41.7 t -60.22 -34.18 56.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.014 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1556 ' ' ARG . . . . . 0.44 ' O ' ' OG ' ' A' 1560 ' ' SER . 0.0 OUTLIER -67.18 -35.65 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.3 -55.81 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.036 0.445 . . . . 0.0 110.833 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1558 ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' 1558 ' ' LEU . 53.3 mt -49.2 -57.87 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.687 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -46.89 -42.88 18.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.352 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1560 ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.4 m -53.55 -68.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.9 OUTLIER -52.27 -38.2 57.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1562 ' ' LEU . . . . . 0.419 HD11 HD21 ' A' 1514 ' ' LEU . 6.5 mt -58.5 -20.6 47.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -97.83 63.78 1.7 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 30.3 p 45.15 86.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 71.0 m -41.35 152.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -159.19 19.15 0.27 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 9.2 m -49.87 134.71 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.63 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 739' ' ' LEU . 35.8 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 46.39 20.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.6 OUTLIER -81.11 -43.3 1.18 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 740' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 31.6 Cg_exo -57.73 117.86 4.64 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.407 2.071 . . . . 0.0 111.751 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.2 tp -160.52 63.4 1.91 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.94 -164.75 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.642 2.228 . . . . 0.0 111.98 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 743' ' ' LEU . 5.3 mp -78.67 153.42 31.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 53.44 -133.3 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.211 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.41 -173.49 3.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.374 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.21 87.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 747' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 749' ' ' LEU . 0.0 OUTLIER -81.6 149.09 28.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.97 9.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 747' ' ' LYS . 14.1 mt 50.74 28.37 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 750' ' ' SER . . . . . 0.635 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.3 OUTLIER -75.39 -41.38 3.76 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 751' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 750' ' ' SER . 23.8 Cg_exo -62.79 112.41 1.63 Allowed 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.838 2.359 . . . . 0.0 112.082 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 752' ' ' LEU . 4.0 mm? -73.25 163.52 27.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 0.0 110.725 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -67.85 125.91 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.265 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.42 104.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 755' ' ' THR . . . . . 0.641 ' N ' ' CD ' ' A' ' 756' ' ' PRO . 0.2 OUTLIER -85.08 -41.22 0.65 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.449 179.167 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 756' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 755' ' ' THR . 38.5 Cg_exo -58.32 159.6 18.87 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.507 2.138 . . . . 0.0 112.023 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.18 161.46 45.76 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.341 2.028 . . . . 0.0 111.991 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.12 -11.0 29.28 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.761 2.307 . . . . 0.0 111.881 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -80.42 126.21 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 83.1 p -157.12 -153.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.49 134.85 41.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 32.4 mtt -126.96 151.16 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.8 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 93.8 t -99.29 122.16 50.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -128.81 125.41 37.69 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 110.159 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.93 115.09 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 12.5 m -46.79 114.1 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 769' ' ' LEU . 0.7 OUTLIER -53.7 -31.41 47.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.92 1.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 767' ' ' LEU . 44.3 mt -120.55 19.63 11.93 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.48 165.17 23.22 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.022 0.439 . . . . 0.0 110.087 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 28.7 t -113.62 -92.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 772' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 772' ' ' ARG . 0.9 OUTLIER -65.59 146.89 54.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.768 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 773' ' ' ILE . 0.0 OUTLIER -119.06 147.28 42.32 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.85 132.01 19.3 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.571 2.181 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' GLN . . . . . 0.648 ' CD ' ' H ' ' A' ' 775' ' ' GLN . 2.5 mp0 -64.58 148.88 96.28 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.3 119.31 6.32 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.262 1.975 . . . . 0.0 112.066 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -77.28 -92.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.281 1.987 . . . . 0.0 111.948 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -175.73 -100.89 0.14 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -168.13 65.83 0.7 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.13 105.33 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.67 2.246 . . . . 0.0 112.141 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 7.2 tpt -83.09 148.95 27.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 102.41 124.98 5.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 66.1 m -164.96 -89.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.499 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.71 -157.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.403 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 93.5 mttt -147.7 -72.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.48 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -170.87 -37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.475 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 63.2 mt 55.92 102.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 44.4 pttt -58.25 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.45 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -50.61 170.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -173.96 -105.88 0.19 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -65.68 174.28 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.291 . . . . 0.0 110.43 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1499 ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' 1500 ' ' ASP . 15.4 p -87.63 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.203 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1500 ' ' ASP . . . . . 0.45 ' N ' ' SG ' ' A' 1499 ' ' CYS . 15.0 p-10 -113.15 -123.9 0.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.371 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 43.5 tttm -52.49 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.605 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . -169.61 -45.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.647 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -86.13 -25.06 25.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.628 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.76 -54.03 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -51.48 -27.55 10.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.26 -59.43 3.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 58.0 mt -50.12 -37.66 35.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 76.4 t -57.78 -55.19 23.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.03 -40.92 82.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.83 -53.18 59.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.901 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -42.01 -44.2 3.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -66.97 0.45 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.128 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -44.19 -47.47 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.28 -37.68 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.963 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1515 ' ' MET . . . . . . . . . . . . . 45.9 tpp -63.1 -53.73 48.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.7 m -86.12 52.76 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.457 . . . . 0.0 110.673 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.2 tp -162.99 151.74 14.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1518 ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' 1520 ' ' ARG . 18.9 ptt180 -164.5 -52.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' 1520 ' ' ARG . 39.3 mm-40 59.52 -9.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' 1518 ' ' ARG . 8.6 tpt180 56.02 158.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.215 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 27.0 t60 73.16 -17.01 0.44 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' 1561 ' ' TYR . 4.0 mt -95.11 -31.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.467 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 19.1 mt -49.76 -36.8 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -70.09 -15.25 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' GLN . . . . . 0.636 ' O ' HD13 ' A' 1529 ' ' LEU . 69.0 mt-30 -96.79 -10.12 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.87 -51.65 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.206 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.5 t -53.34 -44.52 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.991 0.424 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1528 ' ' ASN . . . . . 0.408 ' O ' ' OE1' ' A' 1532 ' ' GLU . 7.5 m-20 -63.46 -54.2 40.16 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -42.12 -48.85 4.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.24 -31.22 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.33 -35.08 62.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.403 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 1.3 mp0 -67.93 -34.78 77.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' 1534 ' ' GLY . 34.3 p -56.68 -116.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.468 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 175.65 -43.63 0.12 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 75.0 m80 -75.93 61.08 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.98 136.45 24.03 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.57 134.34 49.85 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.93 141.68 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -144.99 143.34 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.753 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.58 3.54 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 68.3 p -132.0 -9.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.6 t -172.35 161.15 5.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1543 ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -158.53 130.96 6.94 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.14 -171.17 2.96 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.177 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.21 165.75 15.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.97 116.84 30.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.406 HD22 HG22 ' A' 1555 ' ' VAL . 8.6 mt -85.71 -4.13 59.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 16.5 p -81.61 8.76 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.528 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 32.6 p -128.88 -33.16 2.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 110.67 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.46 138.7 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -42.64 156.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.466 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 14.7 pttp -74.21 -13.03 60.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 110.715 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 66.4 p -70.09 -47.99 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.5 m -51.9 -44.68 63.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' VAL . . . . . 0.406 HG22 HD22 ' A' 1547 ' ' LEU . 11.6 t -68.03 -37.5 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -60.19 -43.43 95.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.12 -45.06 90.25 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.395 0.617 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 64.5 mt -54.68 -58.29 8.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.186 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -45.98 -40.27 10.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.11 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1560 ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' 1564 ' ' THR . 3.6 t -52.09 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.829 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -46.74 -36.63 7.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1562 ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 4.6 mt -60.09 -50.2 74.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.202 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -99.08 65.91 1.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.961 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1564 ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' 1560 ' ' SER . 18.2 m -144.57 107.0 4.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 42.0 t -82.2 -110.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.29 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 90.21 -136.56 13.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 20.0 p -145.36 -15.02 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.518 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.488 179.786 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 738' ' ' ARG . . . . . 0.469 ' CG ' ' H ' ' A' ' 739' ' ' LEU . 14.0 tpp180 -70.61 -137.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 739' ' ' LEU . . . . . 0.469 ' H ' ' CG ' ' A' ' 738' ' ' ARG . 5.7 tp -166.17 71.87 1.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.474 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -47.96 137.16 22.71 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.609 2.206 . . . . 0.0 112.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 0.8 OUTLIER -178.98 -43.54 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.475 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 742' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 33.6 Cg_exo -58.98 -22.21 62.21 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.416 2.077 . . . . 0.0 112.12 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 743' ' ' LEU . . . . . 0.537 HD23 ' H ' ' A' ' 743' ' ' LEU . 0.1 OUTLIER -83.12 69.84 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.425 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -43.18 95.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 743' ' ' LEU . 30.5 m-20 -74.3 -80.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.301 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 61.9 p -109.42 74.84 0.92 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 747' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 749' ' ' LEU . 46.8 tttp -58.75 -15.7 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.45 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 748' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 748' ' ' LEU . 0.2 OUTLIER -60.36 77.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.171 0.51 . . . . 0.0 110.332 -179.458 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 747' ' ' LYS . 57.9 mt -142.49 -8.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 6.2 t 52.63 76.59 0.52 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -46.06 -21.05 0.95 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.652 2.234 . . . . 0.0 112.019 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 5.5 tp -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 57.63 160.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.41 -38.6 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 7.5 m 59.29 66.7 2.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.084 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.16 126.47 13.08 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 121.804 1.669 . . . . 0.0 111.65 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' PRO . . . . . 0.435 ' N ' ' HD2' ' A' ' 758' ' ' PRO . 30.9 Cg_exo -49.18 -46.2 26.71 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.787 1.658 . . . . 0.0 112.516 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 758' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 757' ' ' PRO . 63.5 Cg_endo -74.63 81.48 2.1 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 121.402 1.401 . . . . 0.0 112.266 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 759' ' ' GLN . . . . . 0.413 ' O ' ' OG ' ' A' ' 760' ' ' SER . 18.2 mm100 -85.03 -58.07 2.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.407 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 760' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 24.0 p 59.06 -132.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 761' ' ' LEU . . . . . 0.504 ' N ' ' OG ' ' A' ' 760' ' ' SER . 5.2 mp -130.13 134.21 47.17 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 4.0 mmt -127.1 155.81 42.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.101 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.26 120.12 50.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 764' ' ' LYS . 5.3 ttpm? -129.44 125.91 37.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 16.4 mm -105.64 111.95 37.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.63 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.0 m -48.96 117.57 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 769' ' ' LEU . 1.1 tp -51.26 -47.09 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.744 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 768' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.8 OUTLIER -52.05 -8.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 769' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 767' ' ' LEU . 63.7 mt -120.91 33.72 5.47 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.978 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 771' ' ' SER . 2.2 tp -119.49 -46.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 771' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 772' ' ' ARG . 2.6 p 84.41 -65.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' OG ' ' A' ' 771' ' ' SER . 58.7 mtm180 -105.91 123.52 48.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.656 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 123.52 34.86 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.395 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -45.68 129.01 11.32 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.12 1.88 . . . . 0.0 112.451 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.34 151.69 67.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.502 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.36 111.18 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.587 2.191 . . . . 0.0 112.118 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.29 -34.81 32.91 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.248 1.965 . . . . 0.0 112.659 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.11 73.34 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -154.53 78.49 5.08 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.733 0.301 . . . . 0.0 110.585 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.37 137.67 72.14 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.82 2.346 . . . . 0.0 111.997 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -1.27 45.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.361 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 63.69 144.59 0.02 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 14.9 m -72.74 141.44 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1491 ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' 1491 ' ' ASP . 16.7 p-10 -164.55 -116.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.578 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1492 ' ' LYS . . . . . 0.427 ' H ' ' CG ' ' A' 1491 ' ' ASP . 31.6 tptt 59.54 117.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -78.54 143.71 36.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.36 159.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.419 ' NZ ' ' CB ' ' A' 1495 ' ' LYS . 6.0 ttpm? -161.71 71.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -100.06 136.72 39.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.399 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 162.04 -74.71 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -80.34 122.56 27.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 11.2 m -78.86 165.95 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.25 19.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' 1502 ' ' ALA . 16.8 ptmt -45.95 138.15 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 71.39 -65.13 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -51.0 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1504 ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' 1505 ' ' ASP . 4.4 pp -41.13 -28.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.525 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1505 ' ' ASP . . . . . 0.649 ' N ' HD12 ' A' 1504 ' ' LEU . 48.5 t0 -51.87 -46.33 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1506 ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' 1506 ' ' GLU . 3.6 mp0 -71.26 -56.97 4.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.37 -50.76 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.716 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 45.9 t -63.46 -42.99 98.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.512 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.39 -36.92 83.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.027 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.9 mp -63.65 -55.02 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.291 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1511 ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' 1510 ' ' LEU . 33.0 t60 -39.46 -44.29 1.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.331 0.586 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' 1514 ' ' LEU . 7.0 tpt180 -64.14 -70.63 0.21 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.63 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -45.7 -19.73 0.06 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.319 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' 1512 ' ' ARG . 1.3 mm? -77.08 -34.45 56.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' 1512 ' ' ARG . 24.8 mtp -67.66 -68.63 0.37 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.1 t -39.6 -32.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.492 HD22 HD21 ' A' 1562 ' ' LEU . 2.7 tp -70.63 117.56 12.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -82.27 -11.48 58.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.696 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 60.93 152.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' 1522 ' ' ILE . 20.7 ttp-105 -169.74 113.3 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.375 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 5.2 t60 68.85 -12.32 0.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' 1520 ' ' ARG . 13.1 pt -103.14 -26.32 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.146 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1523 ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' 1523 ' ' LEU . 0.2 OUTLIER -48.4 -36.01 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -76.78 -13.79 59.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1525 ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' 1522 ' ' ILE . 4.0 tp-100 -92.0 -19.28 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.51 -57.31 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 67.3 t -51.71 -40.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.654 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -64.0 -41.17 97.57 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 7.8 tp -59.08 -25.87 64.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.817 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 29.8 mm -92.4 -34.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 110.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -50.19 -40.26 46.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.47 -30.93 71.61 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1533 ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' 1534 ' ' GLY . 43.0 p -60.35 -93.5 0.0 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.5 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 144.95 7.63 0.42 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 12.2 m80 -121.94 59.59 0.99 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 13.1 p90 -142.51 133.15 25.29 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.116 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -92.27 132.35 36.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.2 mm -109.97 144.71 17.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.1 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -152.66 141.68 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.63 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 14.9 p30 -68.2 3.1 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.725 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 38.3 p -133.4 -8.56 2.91 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 0.0 OUTLIER -170.84 161.52 7.22 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.025 0.441 . . . . 0.0 110.201 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1543 ' ' PHE . . . . . 0.428 ' O ' ' CD1' ' A' 1543 ' ' PHE . 0.0 OUTLIER -159.25 130.83 6.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.4 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.4 -173.34 3.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 27.0 p90 -166.77 164.04 16.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.603 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1546 ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' 1546 ' ' ASP . 19.0 p-10 -118.31 118.12 30.93 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.507 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' 1547 ' ' LEU . 1.9 mp -85.77 -1.59 57.37 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.195 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 84.7 m -77.42 8.56 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 9.4 p -130.01 -28.37 2.18 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.642 0.258 . . . . 0.0 110.651 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.05 144.83 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.23 156.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 47.9 mttm -66.37 -16.94 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.65 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 19.5 p -70.56 -45.82 64.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 9.8 m -51.46 -44.05 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.111 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 15.8 t -68.37 -37.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -60.82 -40.44 92.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.25 -46.78 79.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 8.9 mt -53.79 -63.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -45.53 -42.48 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.004 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 2.1 t -48.84 -70.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' 1561 ' ' TYR . 1.1 m-85 -53.8 -34.6 59.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1562 ' ' LEU . . . . . 0.492 HD21 HD22 ' A' 1517 ' ' LEU . 0.1 OUTLIER -63.62 -69.17 0.29 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.99 0.424 . . . . 0.0 110.49 -179.566 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -64.47 76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.343 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1564 ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' 1562 ' ' LEU . 74.7 p -134.01 118.01 17.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.177 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.3 t -136.32 136.74 39.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.372 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 89.4 -55.31 3.89 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 55.5 p -72.94 -0.53 13.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 738' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 740' ' ' PRO . 63.4 mtp85 -76.34 118.53 19.14 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.064 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 739' ' ' LEU . . . . . 0.704 ' H ' ' CD2' ' A' ' 739' ' ' LEU . 4.1 mm? -21.48 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 O-C-N 124.004 0.815 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 740' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 738' ' ' ARG . 31.3 Cg_exo -57.62 66.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.742 2.295 . . . . 0.0 112.119 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.649 ' H ' HD22 ' A' ' 741' ' ' LEU . 3.6 mm? 36.85 78.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.95 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.61 -19.08 4.55 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.534 2.156 . . . . 0.0 112.064 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 49.74 82.72 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -81.72 99.94 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 747' ' ' LYS . 0.0 OUTLIER -78.46 -96.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 747' ' ' LYS . . . . . 0.519 ' H ' HG23 ' A' ' 746' ' ' THR . 58.0 mmtt 59.78 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.97 133.22 51.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.401 ' O ' ' OG ' ' A' ' 750' ' ' SER . 11.1 mt -72.89 147.33 45.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 750' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 749' ' ' LEU . 45.1 p 48.51 67.99 3.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.516 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.27 -178.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.722 2.281 . . . . 0.0 112.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 752' ' ' LEU . 10.0 mp -75.75 -24.51 56.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -78.49 22.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.487 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 754' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 752' ' ' LEU . 60.2 t0 -51.87 -31.6 28.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.412 . . . . 0.0 110.498 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.37 158.64 86.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.429 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.72 112.72 1.35 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.691 2.261 . . . . 0.0 111.738 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' PRO . . . . . 0.537 ' N ' ' CD ' ' A' ' 758' ' ' PRO . 36.2 Cg_exo -50.03 -44.51 37.14 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.622 2.215 . . . . 0.0 112.077 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 758' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 757' ' ' PRO . 38.8 Cg_exo -55.86 129.33 34.41 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.526 2.151 . . . . 0.0 112.181 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -63.78 -78.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 3.4 m 60.14 -155.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.28 135.94 35.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 30.4 mtp -127.53 117.09 21.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' 1544 ' ' ASP . 88.6 t -73.98 122.5 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 764' ' ' LYS . . . . . 0.412 ' HZ3' ' HB2' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -129.27 125.13 36.13 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.968 0.413 . . . . 0.0 110.437 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.16 116.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 1.3 m -44.44 142.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.063 0.458 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 767' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.2 OUTLIER -63.35 -49.38 74.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 768' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 770' ' ' LEU . 4.6 m-20 -49.73 -36.76 26.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.539 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.48 3.34 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 768' ' ' ASP . 17.7 mt -131.14 164.72 24.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.387 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 33.0 t -112.92 -67.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -73.99 152.72 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ILE . . . . . 0.404 ' O ' ' OE1' ' A' ' 775' ' ' GLN . 4.6 mp -129.48 112.87 17.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.06 130.28 13.29 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.534 2.156 . . . . 0.0 112.232 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 773' ' ' ILE . 3.8 mp0 -70.37 148.56 95.59 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -36.75 99.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 123.064 2.51 . . . . 0.0 112.002 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.52 -163.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.536 2.157 . . . . 0.0 111.936 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -101.71 171.13 21.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -40.43 106.09 0.4 Allowed Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.907 -0.146 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.09 176.83 9.51 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.63 2.22 . . . . 0.0 111.914 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 14.7 ptt? -156.66 169.82 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -149.85 43.67 0.74 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 56.6 m -46.12 142.32 2.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.947 0.403 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.06 -43.83 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 37.1 mmtt 45.27 66.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.632 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' 1495 ' ' LYS . 0.6 OUTLIER -79.81 80.73 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.508 -179.475 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 15.2 pt -100.67 -18.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' 1493 ' ' GLN . 59.4 mmtt -62.7 142.55 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.797 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -168.36 -153.65 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 59.18 155.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.15 73.31 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 21.2 p -173.98 142.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.633 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1500 ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' 1501 ' ' LYS . 10.1 p-10 -164.79 -59.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.618 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1501 ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' 1502 ' ' ALA . 81.8 mttt -52.4 -173.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.576 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1502 ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 74.43 -66.56 0.29 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.54 -33.08 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.47 -47.37 84.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -29.6 4.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.041 0.448 . . . . 0.0 110.776 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -68.91 -56.72 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 64.9 mt -50.61 -42.6 56.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 39.1 t -62.65 -48.48 87.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.73 -28.75 66.13 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' 1511 ' ' HIS . 0.6 OUTLIER -67.5 -57.03 7.25 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1511 ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' 1510 ' ' LEU . 25.2 t-80 -35.89 -41.5 0.23 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.23 0.538 . . . . 0.0 110.42 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1512 ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.1 ttp180 -66.65 -75.0 0.1 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.305 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1513 ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' 1516 ' ' THR . 50.2 mtp85 -45.79 -13.89 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1514 ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' 1512 ' ' ARG . 9.3 mt -84.8 -32.61 23.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.423 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1515 ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.9 ttm -66.68 -14.08 62.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.609 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1516 ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' 1513 ' ' ARG . 33.4 p -79.87 -90.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.598 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' 1518 ' ' ARG . 0.2 OUTLIER 59.08 112.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1518 ' ' ARG . . . . . 0.554 ' N ' HD13 ' A' 1517 ' ' LEU . 66.3 mtt180 -131.73 49.83 2.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.748 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1519 ' ' GLU . . . . . 0.452 ' H ' ' CD1' ' A' 1517 ' ' LEU . 67.0 mm-40 -136.71 -158.32 0.86 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.348 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.402 ' C ' ' CG ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -145.29 159.7 42.64 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1521 ' ' HIS . . . . . 0.402 ' CG ' ' C ' ' A' 1520 ' ' ARG . 1.9 m-70 71.12 -2.57 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1522 ' ' ILE . . . . . 0.586 HG21 ' CE1' ' A' 1561 ' ' TYR . 3.9 mt -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.606 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.82 -41.34 61.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.45 -46.0 61.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.325 0.39 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -53.07 -38.75 62.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1526 ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' 1526 ' ' ILE . 95.0 mt -63.71 -6.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.032 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 12.5 t -104.12 -44.32 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.896 0.379 . . . . 0.0 110.355 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 53.2 t30 -65.21 -39.68 93.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.31 -40.25 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.606 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.23 -33.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 0.0 110.568 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -58.68 -27.49 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.067 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -82.37 -34.19 28.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1533 ' ' THR . . . . . . . . . . . . . 72.7 p -76.64 -99.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.55 . . . . 0.0 111.107 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 157.32 170.13 21.87 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 75.0 51.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.49 133.31 27.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 12.2 m170 -89.52 125.9 35.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.31 146.85 13.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.174 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.09 146.07 23.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 177.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -70.4 3.18 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.647 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 35.3 p -134.34 -10.79 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.148 0.28 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1542 ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -166.79 158.09 12.56 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.601 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.53 125.28 3.74 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1544 ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 1.2 p30 -134.9 -168.8 2.23 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 4.3 p90 -170.72 167.8 7.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.413 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -120.17 99.23 6.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -67.89 -4.71 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 71.9 m -67.81 8.55 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.6 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1549 ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' 1547 ' ' LEU . 17.8 p -144.05 -37.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 53.3 mt -50.74 139.17 17.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1551 ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' 1552 ' ' LYS . 25.6 t0 -42.38 142.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1552 ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' 1551 ' ' ASP . 30.5 mtmt -65.92 -21.15 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 28.9 p -65.6 -54.26 30.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.7 m -48.45 -49.16 36.48 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.002 0.43 . . . . 0.0 110.207 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.5 t -58.85 -41.39 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.116 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.4 -43.19 67.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 50.4 mttm -58.51 -46.73 86.12 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.204 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 65.5 mt -49.49 -66.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.761 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -44.9 -48.04 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.509 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 4.0 t -42.08 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1561 ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.3 OUTLIER -54.13 -29.75 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.2 0.524 . . . . 0.0 111.236 -178.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -72.83 0.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -164.54 98.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.474 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 11.3 m -143.05 67.69 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.463 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 67.6 m -86.99 123.96 32.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -82.67 -91.32 0.64 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 19.5 p -84.55 152.14 24.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.492 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.542 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 70.3 p . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.672 0.272 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.19 136.35 48.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.498 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 48.3 mtp -127.55 155.49 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.066 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' 1547 ' ' LEU . 72.5 t -103.14 122.53 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -127.31 124.12 37.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 766' ' ' THR . 53.4 mt -106.99 117.23 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.21 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 765' ' ' ILE . 10.2 t -35.14 134.24 0.27 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 123.487 0.492 . . . . 0.0 110.76 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -77.86 -17.52 57.27 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.547 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.51 -56.47 5.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.54 37.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.335 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.6 OUTLIER -112.86 -51.76 2.82 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 3.0 p 84.42 -56.32 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.684 0.278 . . . . 0.0 110.911 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . 0.53 ' CZ ' ' NE2' ' A' 1524 ' ' GLN . 58.8 mtt180 -86.26 132.66 33.94 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.661 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.9 mp -128.88 97.41 26.93 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 N--CA 1.493 1.49 0 C-N-CA 122.519 2.146 . . . . 0.0 112.367 -179.288 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' 1504 ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.128 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.0 t80 -39.48 -27.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.013 0.435 . . . . 0.0 110.961 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' 1502 ' ' ALA . 18.6 mt -53.64 -37.11 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.33 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' 1506 ' ' GLU . 26.7 p-10 -46.58 -47.48 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' 1505 ' ' ASP . 33.4 tt0 -55.81 -60.74 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.607 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' 1511 ' ' HIS . 12.9 mt -51.04 -47.25 61.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 79.6 t -55.37 -56.14 13.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.297 0.57 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' 1512 ' ' ARG . 25.7 tp10 -53.67 -44.68 69.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.413 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.8 tp -47.59 -61.81 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' 1507 ' ' LEU . 2.3 m-70 -38.99 -41.26 0.75 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.786 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' 1509 ' ' GLU . 13.6 mtm180 -64.86 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.417 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -41.19 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' 1512 ' ' ARG . 4.7 mt -75.23 -36.65 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.344 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 1512 ' ' ARG . 13.4 mtp -65.51 -30.8 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.1 m -91.66 46.94 1.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.621 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.01 130.81 56.93 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -154.36 67.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1520 ' ' ARG . 29.2 mt-10 -133.38 -6.08 2.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' 1522 ' ' ILE . 47.9 mtm180 48.64 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 37.5 t-80 72.89 -33.47 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' 1520 ' ' ARG . 45.3 mt -84.59 -41.47 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' 1527 ' ' VAL . 53.9 mt -45.79 -34.16 3.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . 0.53 ' NE2' ' CZ ' ' A' ' 772' ' ' ARG . 12.8 tt0 -66.83 -25.46 66.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.69 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1522 ' ' ILE . 56.4 mm-40 -90.02 -4.6 57.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 98.9 mt -105.32 -25.78 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.463 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' 1523 ' ' LEU . 48.3 t -90.95 -47.64 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 26.6 tp -51.53 -49.91 61.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.635 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' 1530 ' ' ILE . 1.4 mp -74.52 -38.14 45.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.186 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -41.1 -47.47 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.744 0.307 . . . . 0.0 110.848 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.38 -21.98 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' 1534 ' ' GLY . 0.0 OUTLIER -128.99 106.99 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . -47.37 178.04 0.01 OUTLIER Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' 1534 ' ' GLY . 53.8 t60 111.12 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.47 0.708 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 55.4 p90 -139.88 134.53 31.78 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 31.6 m80 -89.22 125.77 35.22 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.5 tp -108.77 148.93 12.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.084 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.59 146.18 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.017 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.65 3.72 2.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' 1542 ' ' THR . 77.7 p -138.91 -5.1 1.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.403 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.47 HG22 ' N ' ' A' 1543 ' ' PHE . 87.8 m -168.41 156.56 8.38 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . 0.47 ' N ' HG22 ' A' 1542 ' ' THR . 0.0 OUTLIER -159.98 125.86 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' 1544 ' ' ASP . 9.6 p-10 -135.34 -170.93 2.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.23 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -174.3 173.6 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.347 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -114.41 118.85 35.0 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.081 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.719 ' H ' HD12 ' A' 1547 ' ' LEU . 0.1 OUTLIER -87.92 -10.23 51.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 11.7 p -92.23 7.85 40.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.536 ' CB ' ' NE2' ' A' 1535 ' ' HIS . 49.5 m -106.53 -51.89 2.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.493 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.65 165.85 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.25 154.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.534 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -70.92 -16.49 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.663 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 41.4 p -66.9 -42.01 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 24.6 m -56.91 -35.62 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.534 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.2 t -71.09 -38.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.791 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.94 -54.31 27.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.44 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 61.7 mt -49.55 -59.78 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -41.97 15.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.9 t -52.87 -66.5 0.37 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.845 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' 1563 ' ' GLU . 1.4 m-85 -53.32 -36.84 61.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.67 -1.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' 1561 ' ' TYR . 43.1 mt-10 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.34 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.807 0.337 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.7 128.72 39.57 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.83 117.6 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.687 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.96 121.9 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.986 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . 0.449 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.0 OUTLIER -130.76 127.42 38.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.122 0.487 . . . . 0.0 110.58 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 765' ' ' ILE . 2.7 mp -106.55 114.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 767' ' ' LEU . 58.9 m -48.18 161.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.559 ' N ' HG22 ' A' ' 766' ' ' THR . 3.5 mm? -87.19 -43.36 12.29 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -51.66 -20.47 2.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 32.7 mt -100.16 10.51 41.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 110.833 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 16.0 mt -114.93 145.55 42.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 0.0 110.394 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 15.8 m -108.61 -20.6 13.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.546 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -127.09 139.86 52.69 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.178 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 773' ' ' ILE . 4.0 mp -127.53 108.39 20.91 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--N 1.314 -1.267 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.729 0.3 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.37 -30.1 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 39.9 mt -54.82 -32.76 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -46.92 -44.55 19.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.511 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.42 -52.66 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 6.9 mt -47.93 -49.83 28.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 75.6 t -57.67 -52.4 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.378 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -14.91 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.25 -44.32 21.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -53.79 -40.29 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.107 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' 1515 ' ' MET . 53.3 ttp180 -65.7 -70.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.919 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -37.92 -29.91 0.03 OUTLIER 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1516 ' ' THR . 14.2 mt -80.21 -39.03 29.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.6 ttm -60.82 76.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.644 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' 1514 ' ' LEU . 16.7 p 55.84 83.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.86 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.695 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -153.04 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.462 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.036 0.446 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 54.44 42.77 31.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -150.93 6.11 0.51 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 14.6 pt -103.67 -4.47 9.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 110.334 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.4 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.81 -6.08 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -107.66 -25.73 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 87.2 mt -79.02 -44.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.741 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.5 t -56.95 -44.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.109 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . 0.405 HD22 ' N ' ' A' 1528 ' ' ASN . 1.8 m-80 -63.06 -36.8 84.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.607 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.67 -48.52 77.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.49 -36.06 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -55.73 -26.72 46.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.1 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.07 -39.23 19.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.223 0.535 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' 1534 ' ' GLY . 78.5 p -69.53 -80.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.759 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . 136.14 168.82 11.6 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' 1534 ' ' GLY . 2.1 t-160 77.99 52.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.473 -0.428 . . . . 0.0 110.805 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -143.4 135.85 27.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -89.7 128.26 36.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.41 146.97 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.583 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -153.54 143.41 21.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 109.902 178.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.88 3.44 1.98 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 3.0 p -134.7 -10.57 2.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.9 t -167.35 156.63 10.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.266 0.555 . . . . 0.0 110.61 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . 0.46 ' CD2' ' O ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -157.68 125.53 5.34 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 3.7 p30 -135.66 -168.76 2.26 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -170.2 166.76 8.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.377 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1546 ' ' ASP . 0.6 OUTLIER -112.27 109.51 19.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.371 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 7.3 mt -78.37 -6.05 54.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.061 0.458 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 27.6 p -76.09 8.49 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 41.0 t -134.43 -36.04 0.89 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.88 142.14 58.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -46.9 153.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -12.3 60.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.548 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 61.3 p -67.4 -51.45 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.9 m -53.04 -44.44 67.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.368 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 12.3 t -66.13 -41.1 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.677 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -63.02 -39.08 93.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 110.694 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.36 -44.75 74.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.974 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.05 -68.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.48 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' 1562 ' ' LEU . 5.8 pt20 -43.55 -39.19 3.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.234 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 1.2 t -48.5 -57.23 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 -34.67 76.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' 1559 ' ' GLN . 97.1 mt -60.03 -10.73 4.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.743 0.306 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . 0.417 HD23 ' HD1' ' A' 1511 ' ' HIS . 4.7 mp -133.59 135.31 44.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 60.9 mtp -128.35 119.63 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.704 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.66 122.25 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.75 124.86 36.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.19 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 71.2 mt -106.27 114.19 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 4.7 m -45.57 148.47 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 769' ' ' LEU . 4.0 mm? -83.15 -33.53 26.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.9 OUTLIER -57.31 -5.58 0.32 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 767' ' ' LEU . 48.7 mt -117.23 15.93 14.89 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 6.3 mt -123.87 156.74 35.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 50.5 m -112.61 -64.57 1.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.725 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -91.69 133.51 35.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.86 129.41 24.03 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo . . . . . 0 N--CA 1.489 1.234 0 C-N-CA 122.551 2.168 . . . . 0.0 112.346 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.852 0.358 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 51.5 t80 -50.72 -41.62 56.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.775 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.37 -26.43 7.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -49.85 -39.12 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -69.76 -60.34 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' 1507 ' ' LEU . 55.6 mt -48.3 -47.63 36.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 54.9 t -57.13 -59.22 3.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.04 -29.06 67.0 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.805 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.72 -53.14 29.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . 0.417 ' HD1' HD23 ' A' ' 761' ' ' LEU . 9.6 t-160 -40.6 -43.7 1.96 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.38 0.609 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' 1515 ' ' MET . 41.4 ttt85 -64.89 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -42.11 -26.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' 1512 ' ' ARG . 31.6 mt -76.03 -35.57 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' 1512 ' ' ARG . 6.4 mmt -64.04 -14.64 55.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.343 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 5.1 m -64.32 -44.35 91.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.291 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 24.8 tp 58.06 -97.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 54.55 52.03 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -169.3 177.61 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.557 ' O ' ' CG ' ' A' 1521 ' ' HIS . 4.8 ptp180 -176.5 67.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' 1520 ' ' ARG . 5.9 m80 -174.5 -17.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.412 HG21 HD13 ' A' 1522 ' ' ILE . 8.0 mt -98.56 -22.01 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.161 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.6 mt -52.38 -32.19 37.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' 1528 ' ' ASN . 9.0 pt20 -60.52 -8.0 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.637 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' 1529 ' ' LEU . 57.2 mt-30 -105.25 -42.36 5.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.59 -53.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 41.3 t -55.93 -44.07 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.983 0.42 . . . . 0.0 110.613 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1524 ' ' GLN . 1.3 m-20 -62.67 -48.22 80.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -48.37 -55.93 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.708 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . 0.442 ' O ' ' OG1' ' A' 1533 ' ' THR . 20.5 mm -67.61 -38.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.314 0.578 . . . . 0.0 110.807 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -46.71 -39.85 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.686 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.31 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' 1534 ' ' GLY . 53.4 p -59.81 -97.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 145.9 6.21 0.41 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 23.1 m170 -120.78 59.73 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 20.5 p90 -142.35 133.29 25.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 19.6 m80 -90.45 129.13 36.67 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.4 146.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.225 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -153.65 144.82 22.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.89 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.38 1.92 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' 1542 ' ' THR . 12.1 p -141.44 0.44 1.48 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' 1539 ' ' THR . 20.9 m -167.99 147.27 4.74 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-O 120.939 0.399 . . . . 0.0 110.661 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.11 120.1 4.03 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -136.09 -168.72 2.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.456 0.646 . . . . 0.0 110.793 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 9.6 p90 -173.06 171.78 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.403 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' 1546 ' ' ASP . 14.0 p-10 -119.0 112.43 19.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.151 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -79.52 -3.66 47.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.105 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 18.7 t -67.13 -12.9 61.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 70.1 m -104.19 -54.48 2.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.876 0.37 . . . . 0.0 110.648 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 19.7 mt -42.69 139.84 1.48 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -46.09 155.24 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.359 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -65.67 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.659 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 29.5 p -71.6 -31.93 67.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.376 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 8.8 m -57.67 -57.69 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 5.1 m -60.49 -39.32 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' 1560 ' ' SER . 37.1 ttm180 -61.57 -42.9 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.23 0.538 . . . . 0.0 110.45 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -68.21 -47.25 68.39 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.42 0.629 . . . . 0.0 110.57 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.55 -61.25 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . 0.421 ' O ' ' OE2' ' A' 1563 ' ' GLU . 77.7 mt-30 -44.17 -38.19 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.147 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.3 m -53.51 -72.11 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -45.86 -37.89 6.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 110.404 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 3.0 mt -59.73 -47.66 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.826 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . 0.421 ' OE2' ' O ' ' A' 1559 ' ' GLN . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.262 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 10.2 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.72 0.295 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.42 133.63 46.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 53.7 mmm -127.23 118.18 23.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.68 125.19 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -127.23 124.77 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.3 mt -107.21 117.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.1 m -37.15 102.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.741 ' O ' HD22 ' A' ' 770' ' ' LEU . 5.7 tt -73.97 -7.74 53.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.099 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.83 -30.68 71.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 21.3 mt -112.49 31.09 6.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.326 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.902 HD23 ' H ' ' A' ' 771' ' ' SER . 1.0 OUTLIER -77.77 -38.85 45.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.52 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . 0.902 ' H ' HD23 ' A' ' 770' ' ' LEU . 1.2 m 76.75 -76.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -81.51 124.8 29.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 770' ' ' LEU . 2.3 mp -114.99 130.21 24.4 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.491 1.375 0 C-N-CA 122.096 1.864 . . . . 0.0 111.495 -179.875 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.764 0.316 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' 1505 ' ' ASP . 30.0 t80 -45.65 -41.3 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.727 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' 1504 ' ' LEU . 0.2 OUTLIER -44.96 -16.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' 1503 ' ' TYR . 90.3 m-20 -56.71 -54.71 43.01 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.976 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.68 -33.87 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.721 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -45.27 80.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1504 ' ' LEU . 48.8 t -57.48 -49.08 81.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 121.21 0.529 . . . . 0.0 109.79 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -58.12 -45.64 86.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.0 tp -49.0 -48.04 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.041 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . 0.409 ' O ' ' ND1' ' A' 1511 ' ' HIS . 1.5 t60 -49.9 -41.15 45.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' 1515 ' ' MET . 92.8 mtt180 -63.63 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.068 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -40.88 -29.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.431 HD21 HD12 ' A' 1558 ' ' LEU . 7.9 mt -75.32 -39.19 59.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.087 0.47 . . . . 0.0 110.685 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' 1512 ' ' ARG . 32.6 ttm -63.5 -48.6 76.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 4.3 m -82.51 49.02 1.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 111.161 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' 1517 ' ' LEU . 1.4 pp -49.4 177.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.552 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . 0.666 ' N ' ' NE ' ' A' 1518 ' ' ARG . 0.0 OUTLIER -165.97 25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.642 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -172.02 145.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.268 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' 1522 ' ' ILE . 1.5 mpt_? -100.68 -165.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 9.7 t-80 70.44 -21.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.551 ' H ' ' C ' ' A' 1520 ' ' ARG . 95.6 mt -87.83 -40.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.88 -37.97 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 770' ' ' LEU . 3.2 mm100 -73.04 -28.25 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' 1522 ' ' ILE . 79.7 mt-30 -78.0 -10.56 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.718 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . 0.438 HG12 HD11 ' A' 1558 ' ' LEU . 89.6 mt -99.79 -48.16 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.7 t -56.35 -45.66 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.944 0.402 . . . . 0.0 111.017 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -64.12 -49.65 71.35 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.976 0.417 . . . . 0.0 110.645 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 4.3 tp -48.77 -36.27 16.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 46.4 mm -80.85 -28.04 11.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.032 0.444 . . . . 0.0 110.486 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -58.7 -29.2 66.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.093 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.82 -37.36 67.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' 1534 ' ' GLY . 64.7 p -54.1 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 156.51 -43.69 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -78.6 62.8 3.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.939 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -143.34 133.52 24.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -96.95 134.24 40.56 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.249 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -109.51 146.73 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 767' ' ' LEU . 0.2 OUTLIER -152.64 142.71 22.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.154 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.9 5.13 1.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.738 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 82.4 p -131.06 -15.8 3.28 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -167.57 162.82 14.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.223 0.535 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.94 127.28 5.19 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1544 ' ' ASP . 35.4 p-10 -137.83 -169.47 2.56 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -170.09 169.39 8.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.516 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -110.81 107.39 16.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.11 -7.03 51.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 60.5 m -84.15 9.01 13.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.636 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.4 m -127.49 -24.62 3.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 14.2 mt -83.72 171.4 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.577 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.94 153.64 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.73 -11.4 60.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 82.3 p -66.96 -52.43 42.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 7.4 p -53.62 -38.41 64.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.052 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.5 t -69.27 -40.24 80.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.916 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -61.71 -38.44 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.6 -57.56 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . 0.438 HD11 HG12 ' A' 1526 ' ' ILE . 3.6 mm? -46.44 -56.83 5.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.025 0.44 . . . . 0.0 111.073 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' 1559 ' ' GLN . 0.1 OUTLIER -48.37 -44.48 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.246 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 6.9 t -52.52 -72.26 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.971 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.4 OUTLIER -50.89 -36.85 40.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.31 -19.4 61.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.559 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 49.2 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 -179.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 1.8 t . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 120.836 0.35 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . 0.447 ' N ' ' OG ' ' A' ' 760' ' ' SER . 0.1 OUTLIER -155.74 119.7 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.134 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.04 150.06 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.092 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 36.1 t -102.92 123.97 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -127.85 123.63 35.57 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.155 0.502 . . . . 0.0 109.738 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 770' ' ' LEU . 56.5 mt -106.57 119.38 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.997 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 765' ' ' ILE . 0.2 OUTLIER -40.38 163.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 -179.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 767' ' ' LEU . 0.5 OUTLIER -96.35 -28.31 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.797 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 768' ' ' ASP . 0.4 OUTLIER -82.07 -32.31 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.8 -178.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 769' ' ' LEU . 3.6 mm? -78.43 -14.71 59.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.939 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 765' ' ' ILE . 0.2 OUTLIER -79.58 -44.27 21.39 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.007 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 4.3 p 86.52 -41.74 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.032 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 770' ' ' LEU . 4.9 tpt180 -116.59 154.36 30.62 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . 0.717 ' N ' HD12 ' A' ' 773' ' ' ILE . 0.1 OUTLIER -129.54 108.04 17.33 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.778 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 N--CA 1.499 1.836 0 C-N-CA 122.259 1.973 . . . . 0.0 112.067 179.487 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' 1504 ' ' LEU . . . . . . . . 0 C--O 1.226 -0.16 0 CA-C-O 120.724 0.297 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.8 t80 -42.21 -20.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 111.088 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' 1502 ' ' ALA . 2.2 pp -68.87 -33.31 73.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.279 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' 1506 ' ' GLU . 2.2 p30 -50.66 -43.83 57.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' 1505 ' ' ASP . 36.4 tp10 -62.15 -49.38 76.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.57 -42.54 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.672 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 53.0 t -60.4 -51.33 74.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.23 0.538 . . . . 0.0 110.328 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.58 -46.68 86.43 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.474 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.4 tp -47.03 -63.97 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' 1510 ' ' LEU . 4.3 t-80 -31.52 -40.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.593 0.558 . . . . 0.0 110.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.9 mtp85 -66.49 -72.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.651 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -40.5 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' 1512 ' ' ARG . 11.9 mt -84.24 -35.87 23.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' 1515 ' ' MET . 0.0 OUTLIER -64.33 78.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.703 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' 1514 ' ' LEU . 3.9 m 50.45 83.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.621 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.25 -76.09 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.233 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -171.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -83.84 145.25 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -71.13 -151.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.411 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' 1523 ' ' LEU . 26.9 m80 46.95 -172.87 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 17.5 mt 64.11 -41.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 123.339 0.399 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1521 ' ' HIS . 18.5 mt -51.7 -44.77 63.27 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -72.01 -37.04 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -69.3 -13.88 62.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 1526 ' ' ILE . 78.0 mt -102.68 -12.94 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' 1523 ' ' LEU . 42.4 t -91.43 -50.09 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 110.337 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.24 -37.56 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 16.7 tp -51.67 -56.31 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.606 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' 1533 ' ' THR . 5.9 mm -70.0 -41.38 79.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.086 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -38.48 -49.58 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.47 -15.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.839 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.642 HG23 ' O ' ' A' 1530 ' ' ILE . 70.7 p -66.09 -27.36 68.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.555 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 80.2 21.42 65.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.61 74.33 1.51 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . 0.616 ' CZ ' ' CG ' ' A' 1545 ' ' PHE . 0.2 OUTLIER -138.7 127.46 23.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . 0.488 ' C ' HD12 ' A' 1538 ' ' ILE . 40.6 t-80 -95.54 124.74 39.71 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' 1537 ' ' HIS . 1.4 mp -108.53 148.41 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -148.57 142.38 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.35 0.88 3.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.02 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 24.4 p -126.11 -12.75 6.33 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -176.46 169.4 2.64 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 110.955 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -161.8 131.07 4.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -137.63 -172.53 3.25 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.206 0.527 . . . . 0.0 111.243 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . 0.616 ' CG ' ' CZ ' ' A' 1536 ' ' PHE . 1.9 p90 -167.45 164.29 14.97 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.49 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.65 118.01 31.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' 1547 ' ' LEU . 2.1 mp -87.51 -4.12 58.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.539 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 87.5 m -78.92 7.43 7.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.785 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 59.1 p -114.82 -17.48 11.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.705 0.288 . . . . 0.0 110.43 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 11.5 mt -89.37 167.46 13.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.614 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' 1552 ' ' LYS . 14.7 t70 -74.06 173.41 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' 1551 ' ' ASP . 0.0 OUTLIER -78.28 -15.23 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 -179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 20.4 p -62.63 -47.45 83.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.392 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 41.2 m -56.65 -44.45 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 50.8 t -58.85 -39.39 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -60.98 -41.96 97.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -64.16 -44.24 92.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.4 -65.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -43.36 -41.6 4.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.31 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' 1561 ' ' TYR . 1.4 p -52.8 -62.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.537 ' N ' ' OG ' ' A' 1560 ' ' SER . 4.8 m-85 -60.08 -38.38 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.142 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.95 -62.06 2.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' 1563 ' ' GLU . 1.4 mp0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.99 0.424 . . . . 0.0 110.217 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.753 0.311 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.45 131.07 41.33 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 62.1 mtp -125.33 118.01 25.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.475 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.48 123.94 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.288 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -128.08 122.96 33.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 93.5 mt -106.61 118.63 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.947 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 6.1 m -37.23 113.21 0.24 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.577 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -53.07 -40.67 64.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.078 -178.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.98 -54.95 27.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.016 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.68 41.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 771' ' ' SER . 4.0 tt -118.03 138.15 52.4 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 770' ' ' LEU . 16.3 m -10.87 -94.84 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.235 0.96 . . . . 0.0 111.324 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -145.72 176.52 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.785 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 773' ' ' ILE . 1.8 mp -108.59 103.5 51.46 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.965 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 773' ' ' ILE . 68.6 Cg_exo . . . . . 0 C--N 1.31 -1.491 0 C-N-CA 122.898 2.398 . . . . 0.0 112.109 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.733 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . 0.615 ' CE1' ' NZ ' ' A' 1552 ' ' LYS . 44.5 t80 -52.96 -26.39 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.728 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.93 -27.68 32.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.333 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1505 ' ' ASP . 22.3 p-10 -48.47 -41.35 29.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.86 -57.81 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 45.6 mt -49.34 -44.24 44.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 89.2 t -57.31 -56.29 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.363 0.601 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -54.67 -43.65 72.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.523 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.74 -58.72 5.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -37.89 -41.64 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' 1515 ' ' MET . 15.2 mtp-105 -65.65 -72.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -39.95 -24.5 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' 1512 ' ' ARG . 44.9 mt -79.69 -36.65 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' 1512 ' ' ARG . 83.6 mmm -63.49 -60.23 3.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 82.2 p -79.91 50.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.69 154.41 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.811 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' A' 1519 ' ' GLU . 3.1 tpt180 -140.01 -127.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' A' 1518 ' ' ARG . 41.7 mt-10 51.04 100.02 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' 1522 ' ' ILE . 17.2 mmm-85 -68.76 -165.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 15.7 t-80 73.73 -28.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' 1520 ' ' ARG . 90.6 mt -87.82 -40.0 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.342 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' 1523 ' ' LEU . 4.1 mm? -54.57 -42.27 70.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.882 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . 0.464 ' N ' ' OG ' ' A' ' 771' ' ' SER . 9.4 pt20 -64.42 -8.58 13.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.53 -5.18 17.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 94.0 mt -103.84 -49.54 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.412 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 49.1 t -58.51 -47.35 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' 1528 ' ' ASN . 1.5 m-20 -63.97 -38.02 89.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.328 0.585 . . . . 0.0 110.503 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.31 -48.54 78.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.22 -30.31 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.966 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.19 -35.81 65.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.515 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 47.8 tp10 -65.89 -33.4 75.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' 1534 ' ' GLY . 31.4 p -57.34 -115.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.501 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 164.3 3.7 0.04 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -120.54 59.48 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.87 0.367 . . . . 0.0 110.783 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' 1536 ' ' PHE . 5.4 p90 -144.25 133.82 23.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.5 132.85 36.47 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.991 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -110.42 144.43 18.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.276 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -151.99 141.11 21.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.786 178.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . 0.413 ' N ' HD22 ' A' 1540 ' ' ASN . 3.1 m120 -68.24 3.67 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' 1539 ' ' THR . 22.8 p -133.04 -11.25 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.4 t -168.86 160.02 9.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.189 0.519 . . . . 0.0 110.629 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.63 127.99 4.98 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.2 p30 -137.03 -169.19 2.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 10.6 p90 -169.91 167.09 9.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.332 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -115.33 110.77 19.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.0 -3.61 42.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' 1548 ' ' CYS . 42.9 t -77.58 0.08 24.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 33.7 t -123.98 -40.82 2.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.46 141.41 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -40.97 150.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . 0.615 ' NZ ' ' CE1' ' A' 1503 ' ' TYR . 12.7 ttmm -71.55 -18.71 62.24 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.229 0.538 . . . . 0.0 110.682 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 18.3 p -62.65 -54.33 41.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.1 m -46.62 -41.44 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.3 t -61.54 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -64.24 -37.05 86.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.69 -55.98 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.307 0.575 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 86.0 mt -46.31 -60.74 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -45.51 -43.07 11.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . 0.585 ' OG ' ' CD1' ' A' 1561 ' ' TYR . 6.1 p -48.89 -66.32 0.42 Allowed 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.154 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.585 ' CD1' ' OG ' ' A' 1560 ' ' SER . 0.9 OUTLIER -59.59 -34.52 72.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 1562 ' ' LEU . 0.2 OUTLIER -63.37 -37.07 85.84 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.333 -179.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.75 134.84 41.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.728 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 40.2 mtt -128.11 119.97 26.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' 1544 ' ' ASP . 28.9 t -70.04 129.03 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . 0.479 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.9 OUTLIER -130.19 123.71 30.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.926 0.393 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 765' ' ' ILE . 1.8 mp -104.4 118.2 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.888 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 768' ' ' ASP . 1.6 m -37.15 109.74 0.1 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.301 0.572 . . . . 0.0 111.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 770' ' ' LEU . 1.1 tp -67.95 5.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 766' ' ' THR . 1.1 m-20 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.36 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 15.4 mt -120.06 23.08 11.19 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 770' ' ' LEU . 0.0 OUTLIER -73.82 148.94 41.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 179.343 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 770' ' ' LEU . 81.2 p -15.21 -89.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . 0.43 ' N ' ' OG ' ' A' ' 771' ' ' SER . 0.1 OUTLIER -153.13 165.29 36.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.705 177.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 774' ' ' PRO . 0.0 OUTLIER -105.14 105.75 53.01 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.191 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 773' ' ' ILE . 86.5 Cg_exo . . . . . 0 N--CA 1.493 1.479 0 C-N-CA 122.281 1.987 . . . . 0.0 112.252 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.779 0.323 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 39.4 t80 -46.07 -37.67 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.02 -28.88 7.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.362 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1502 ' ' ALA . 1.3 m-20 -50.87 -36.08 36.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -65.66 -49.45 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.78 -40.92 76.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.675 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 64.9 t -60.8 -50.4 80.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.594 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.77 -41.68 91.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.41 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.43 -53.1 60.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.268 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 27.9 t60 -40.44 -43.69 1.86 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.467 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.1 -68.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -43.19 -51.24 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.419 HD21 HD11 ' A' 1562 ' ' LEU . 13.8 mt -50.48 -36.79 35.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.32 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.497 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.5 m -47.67 -68.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' 1517 ' ' LEU . 4.1 mm? -60.7 150.52 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.267 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' 1519 ' ' GLU . 34.3 ptt-85 -169.33 37.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' 1518 ' ' ARG . 21.1 mt-10 -47.43 174.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.266 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' 1522 ' ' ILE . 19.2 mmt85 -101.6 173.46 6.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' 1520 ' ' ARG . 4.9 m-70 71.01 -13.79 0.49 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.687 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' 1520 ' ' ARG . 5.5 pt -97.51 -38.4 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.345 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.24 -47.98 71.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.394 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . 0.601 ' CD ' ' H ' ' A' 1524 ' ' GLN . 0.0 OUTLIER -61.91 -15.36 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -104.51 -0.77 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.63 -44.88 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.258 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.8 t -69.06 -47.8 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.6 t30 -65.23 -46.39 80.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 6.8 tp -48.73 -41.28 31.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . 0.436 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.4 mp -76.45 -32.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -52.7 -35.63 55.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.44 -32.55 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.508 ' OG1' ' N ' ' A' 1534 ' ' GLY . 32.5 p -58.57 -113.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 110.726 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.508 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 163.62 2.91 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.91 59.88 0.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.5 p90 -145.74 136.0 23.9 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.527 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 76.1 t60 -94.72 132.94 38.94 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.1 mm -109.82 143.48 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.448 ' O ' HD22 ' A' ' 767' ' ' LEU . 0.3 OUTLIER -151.5 147.02 26.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' 1540 ' ' ASN . 1.5 m-80 -72.94 5.38 3.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.622 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 63.6 p -138.14 -2.8 1.82 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1539 ' ' THR . 4.7 t -173.99 156.9 2.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.135 0.493 . . . . 0.0 110.306 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.04 128.37 5.49 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 2.2 p30 -137.55 -171.24 2.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.342 0.591 . . . . 0.0 110.899 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 3.5 p90 -163.88 163.91 23.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.904 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' 1546 ' ' ASP . 1.6 m-20 -103.42 99.9 9.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.719 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 73.3 mt -71.0 -14.38 62.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.398 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 10.0 m -77.24 8.5 3.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 5.1 m -126.94 -45.77 1.57 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.77 142.31 50.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.543 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' 1551 ' ' ASP . 1.1 m-20 -48.98 159.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.268 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . 0.609 ' CD ' ' H ' ' A' 1552 ' ' LYS . 0.0 OUTLIER -73.64 -11.66 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 80.4 p -69.15 -50.79 44.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.0 m -53.73 -47.16 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.055 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 41.7 t -60.22 -34.18 56.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.014 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . 0.44 ' O ' ' OG ' ' A' 1560 ' ' SER . 0.0 OUTLIER -67.18 -35.65 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.3 -55.81 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.036 0.445 . . . . 0.0 110.833 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' 1558 ' ' LEU . 53.3 mt -49.2 -57.87 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.687 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -46.89 -42.88 18.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.352 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.4 m -53.55 -68.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.9 OUTLIER -52.27 -38.2 57.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . 0.419 HD11 HD21 ' A' 1514 ' ' LEU . 6.5 mt -58.5 -20.6 47.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.53 -179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.673 0.273 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.49 134.85 41.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 32.4 mtt -126.96 151.16 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.8 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 93.8 t -99.29 122.16 50.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -128.81 125.41 37.69 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 110.159 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.93 115.09 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 12.5 m -46.79 114.1 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 769' ' ' LEU . 0.7 OUTLIER -53.7 -31.41 47.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.92 1.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 767' ' ' LEU . 44.3 mt -120.55 19.63 11.93 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.48 165.17 23.22 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.022 0.439 . . . . 0.0 110.087 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 28.7 t -113.62 -92.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 772' ' ' ARG . 0.9 OUTLIER -65.59 146.89 54.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.768 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 773' ' ' ILE . 0.0 OUTLIER -119.06 147.28 42.32 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 N--CA 1.494 1.521 0 C-N-CA 122.571 2.181 . . . . 0.0 112.344 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.824 0.345 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -86.13 -25.06 25.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.628 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.76 -54.03 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -51.48 -27.55 10.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.26 -59.43 3.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 58.0 mt -50.12 -37.66 35.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 76.4 t -57.78 -55.19 23.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.03 -40.92 82.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.83 -53.18 59.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.901 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -42.01 -44.2 3.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -66.97 0.45 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.128 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -44.19 -47.47 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.28 -37.68 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.963 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . . . . . . . . . 45.9 tpp -63.1 -53.73 48.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.7 m -86.12 52.76 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.457 . . . . 0.0 110.673 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.2 tp -162.99 151.74 14.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' 1520 ' ' ARG . 18.9 ptt180 -164.5 -52.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' 1520 ' ' ARG . 39.3 mm-40 59.52 -9.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' 1518 ' ' ARG . 8.6 tpt180 56.02 158.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.215 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 27.0 t60 73.16 -17.01 0.44 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' 1561 ' ' TYR . 4.0 mt -95.11 -31.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.467 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 19.1 mt -49.76 -36.8 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -70.09 -15.25 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . 0.636 ' O ' HD13 ' A' 1529 ' ' LEU . 69.0 mt-30 -96.79 -10.12 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.87 -51.65 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.206 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.5 t -53.34 -44.52 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.991 0.424 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' 1528 ' ' ASN . 1.0 OUTLIER -63.46 -54.2 40.16 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -42.12 -48.85 4.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.24 -31.22 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.33 -35.08 62.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.403 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 1.3 mp0 -67.93 -34.78 77.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' 1534 ' ' GLY . 34.3 p -56.68 -116.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.468 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 175.65 -43.63 0.12 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 75.0 m80 -75.93 61.08 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.98 136.45 24.03 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.57 134.34 49.85 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.93 141.68 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -144.99 143.34 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.753 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.58 3.54 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 68.3 p -132.0 -9.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.6 t -172.35 161.15 5.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -158.53 130.96 6.94 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.14 -171.17 2.96 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.177 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.21 165.75 15.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.97 116.84 30.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.406 HD22 HG22 ' A' 1555 ' ' VAL . 8.6 mt -85.71 -4.13 59.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 16.5 p -81.61 8.76 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.528 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 32.6 p -128.88 -33.16 2.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 110.67 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.46 138.7 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -42.64 156.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.466 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 14.7 pttp -74.21 -13.03 60.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 110.715 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 66.4 p -70.09 -47.99 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.5 m -51.9 -44.68 63.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . 0.411 HG12 HE21 ' A' 1559 ' ' GLN . 11.6 t -68.03 -37.5 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -60.19 -43.43 95.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.12 -45.06 90.25 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.395 0.617 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 64.5 mt -54.68 -58.29 8.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.186 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . 0.411 HE21 HG12 ' A' 1555 ' ' VAL . 32.3 mt-30 -45.98 -40.27 10.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.11 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.6 t -52.09 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.829 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -46.74 -36.63 7.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 4.6 mt -60.09 -50.2 74.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.202 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.961 -179.663 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 24.0 p . . . . . 0 CA--C 1.524 -0.055 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . 0.504 ' N ' ' OG ' ' A' ' 760' ' ' SER . 5.2 mp -130.13 134.21 47.17 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 4.0 mmt -127.1 155.81 42.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.101 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.26 120.12 50.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 764' ' ' LYS . 5.3 ttpm? -129.44 125.91 37.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 16.4 mm -105.64 111.95 37.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.63 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.0 m -48.96 117.57 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 769' ' ' LEU . 1.1 tp -51.26 -47.09 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.744 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.8 OUTLIER -52.05 -8.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 767' ' ' LEU . 63.7 mt -120.91 33.72 5.47 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.978 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 771' ' ' SER . 2.2 tp -119.49 -46.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 772' ' ' ARG . 2.6 p 84.41 -65.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' OG ' ' A' ' 771' ' ' SER . 58.7 mtm180 -105.91 123.52 48.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.656 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 123.52 34.86 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.395 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 N--CA 1.493 1.47 0 C-N-CA 122.12 1.88 . . . . 0.0 112.451 -179.774 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 120.886 0.375 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -51.0 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' 1505 ' ' ASP . 4.4 pp -41.13 -28.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.525 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . 0.649 ' N ' HD12 ' A' 1504 ' ' LEU . 48.5 t0 -51.87 -46.33 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' 1506 ' ' GLU . 3.6 mp0 -71.26 -56.97 4.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.37 -50.76 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.716 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 45.9 t -63.46 -42.99 98.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.512 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.39 -36.92 83.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.027 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.9 mp -63.65 -55.02 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.291 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' 1510 ' ' LEU . 33.0 t60 -39.46 -44.29 1.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.331 0.586 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' 1514 ' ' LEU . 7.0 tpt180 -64.14 -70.63 0.21 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.63 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -45.7 -19.73 0.06 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.319 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' 1512 ' ' ARG . 1.3 mm? -77.08 -34.45 56.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' 1512 ' ' ARG . 24.8 mtp -67.66 -68.63 0.37 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.1 t -39.6 -32.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.492 HD22 HD21 ' A' 1562 ' ' LEU . 2.7 tp -70.63 117.56 12.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -82.27 -11.48 58.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.696 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 60.93 152.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' 1522 ' ' ILE . 20.7 ttp-105 -169.74 113.3 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.375 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 5.2 t60 68.85 -12.32 0.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' 1520 ' ' ARG . 13.1 pt -103.14 -26.32 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.146 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' 1523 ' ' LEU . 0.2 OUTLIER -48.4 -36.01 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -76.78 -13.79 59.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' 1522 ' ' ILE . 4.0 tp-100 -92.0 -19.28 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.51 -57.31 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 67.3 t -51.71 -40.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.654 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -64.0 -41.17 97.57 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 7.8 tp -59.08 -25.87 64.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.817 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 29.8 mm -92.4 -34.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 110.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -50.19 -40.26 46.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.47 -30.93 71.61 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' 1534 ' ' GLY . 43.0 p -60.35 -93.5 0.0 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.5 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 144.95 7.63 0.42 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 12.2 m80 -121.94 59.59 0.99 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 13.1 p90 -142.51 133.15 25.29 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.116 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -92.27 132.35 36.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.2 mm -109.97 144.71 17.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.1 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -152.66 141.68 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 14.9 p30 -68.2 3.1 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.725 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 38.3 p -133.4 -8.56 2.91 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 0.0 OUTLIER -170.84 161.52 7.22 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.025 0.441 . . . . 0.0 110.201 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . 0.428 ' O ' ' CD1' ' A' 1543 ' ' PHE . 0.0 OUTLIER -159.25 130.83 6.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.4 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.4 -173.34 3.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 27.0 p90 -166.77 164.04 16.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.603 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' 1546 ' ' ASP . 19.0 p-10 -118.31 118.12 30.93 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.507 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' 1547 ' ' LEU . 1.9 mp -85.77 -1.59 57.37 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.195 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 84.7 m -77.42 8.56 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . . . . . . . . . 9.4 p -130.01 -28.37 2.18 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.642 0.258 . . . . 0.0 110.651 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.05 144.83 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.23 156.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 47.9 mttm -66.37 -16.94 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.65 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 19.5 p -70.56 -45.82 64.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 9.8 m -51.46 -44.05 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.111 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 15.8 t -68.37 -37.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -60.82 -40.44 92.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.25 -46.78 79.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 8.9 mt -53.79 -63.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -45.53 -42.48 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.004 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 2.1 t -48.84 -70.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' 1561 ' ' TYR . 1.1 m-85 -53.8 -34.6 59.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . 0.492 HD21 HD22 ' A' 1517 ' ' LEU . 0.1 OUTLIER -63.62 -69.17 0.29 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.99 0.424 . . . . 0.0 110.49 -179.566 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.343 -179.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.032 0.444 . . . . 0.0 110.626 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.28 135.94 35.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 30.4 mtp -127.53 117.09 21.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' 1544 ' ' ASP . 88.6 t -73.98 122.5 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' LYS . . . . . 0.412 ' HZ3' ' HB2' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -129.27 125.13 36.13 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.968 0.413 . . . . 0.0 110.437 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.16 116.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 1.3 m -44.44 142.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.063 0.458 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.2 OUTLIER -63.35 -49.38 74.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 770' ' ' LEU . 4.6 m-20 -49.73 -36.76 26.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.539 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.48 3.34 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 768' ' ' ASP . 17.7 mt -131.14 164.72 24.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.387 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 33.0 t -112.92 -67.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -73.99 152.72 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.48 112.87 17.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo . . . . . 0 C--N 1.31 -1.456 0 C-N-CA 122.534 2.156 . . . . 0.0 112.232 179.617 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.673 0.273 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.54 -33.08 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.47 -47.37 84.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -29.6 4.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.041 0.448 . . . . 0.0 110.776 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -68.91 -56.72 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 64.9 mt -50.61 -42.6 56.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 39.1 t -62.65 -48.48 87.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.73 -28.75 66.13 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' 1511 ' ' HIS . 0.6 OUTLIER -67.5 -57.03 7.25 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1511 ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' 1510 ' ' LEU . 25.2 t-80 -35.89 -41.5 0.23 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.23 0.538 . . . . 0.0 110.42 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1512 ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.1 ttp180 -66.65 -75.0 0.1 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.305 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1513 ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' 1516 ' ' THR . 50.2 mtp85 -45.79 -13.89 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1514 ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' 1512 ' ' ARG . 9.3 mt -84.8 -32.61 23.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.423 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1515 ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.9 ttm -66.68 -14.08 62.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.609 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' 1513 ' ' ARG . 33.4 p -79.87 -90.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.598 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' 1518 ' ' ARG . 0.2 OUTLIER 59.08 112.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' ARG . . . . . 0.554 ' N ' HD13 ' A' 1517 ' ' LEU . 66.3 mtt180 -131.73 49.83 2.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.748 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' GLU . . . . . 0.452 ' H ' ' CD1' ' A' 1517 ' ' LEU . 67.0 mm-40 -136.71 -158.32 0.86 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.348 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' ARG . . . . . 0.402 ' C ' ' CG ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -145.29 159.7 42.64 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' HIS . . . . . 0.402 ' CG ' ' C ' ' A' 1520 ' ' ARG . 1.9 m-70 71.12 -2.57 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' ILE . . . . . 0.586 HG21 ' CE1' ' A' 1561 ' ' TYR . 3.9 mt -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.606 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.82 -41.34 61.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.45 -46.0 61.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.325 0.39 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -53.07 -38.75 62.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' 1526 ' ' ILE . 95.0 mt -63.71 -6.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.032 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 12.5 t -104.12 -44.32 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.896 0.379 . . . . 0.0 110.355 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.21 -39.68 93.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.31 -40.25 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.606 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.23 -33.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 0.0 110.568 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -58.68 -27.49 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.067 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -82.37 -34.19 28.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' THR . . . . . . . . . . . . . 72.7 p -76.64 -99.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.55 . . . . 0.0 111.107 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 157.32 170.13 21.87 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 75.0 51.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.49 133.31 27.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 12.2 m170 -89.52 125.9 35.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.31 146.85 13.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.174 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.09 146.07 23.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 177.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' 1540 ' ' ASN . 0.9 OUTLIER -70.4 3.18 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.647 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' THR . . . . . . . . . . . . . 35.3 p -134.34 -10.79 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.148 0.28 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -166.79 158.09 12.56 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.601 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.53 125.28 3.74 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1544 ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 1.2 p30 -134.9 -168.8 2.23 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 4.3 p90 -170.72 167.8 7.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.413 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -120.17 99.23 6.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -67.89 -4.71 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 71.9 m -67.81 8.55 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.6 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' 1547 ' ' LEU . 17.8 p -144.05 -37.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 53.3 mt -50.74 139.17 17.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' 1552 ' ' LYS . 25.6 t0 -42.38 142.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' 1551 ' ' ASP . 30.5 mtmt -65.92 -21.15 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' THR . . . . . . . . . . . . . 28.9 p -65.6 -54.26 30.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.7 m -48.45 -49.16 36.48 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.002 0.43 . . . . 0.0 110.207 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.5 t -58.85 -41.39 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.116 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.4 -43.19 67.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 50.4 mttm -58.51 -46.73 86.12 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.204 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 65.5 mt -49.49 -66.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.761 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -44.9 -48.04 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.509 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' SER . . . . . . . . . . . . . 4.0 t -42.08 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.3 OUTLIER -54.13 -29.75 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.2 0.524 . . . . 0.0 111.236 -178.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -72.83 0.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.474 -179.496 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 18.7 mtp-105 55.83 32.48 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.726 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . 0.619 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.1 OUTLIER -81.5 -41.41 1.07 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.69 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 57.0 Cg_endo -86.09 -53.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 122.479 2.119 . . . . 0.0 112.129 -178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.52 92.16 27.49 Favored Pre-proline 0 N--CA 1.464 0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.496 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_exo -48.77 -61.2 0.62 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.544 2.163 . . . . 0.0 111.905 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 30.0 tp -171.86 118.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.552 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -81.16 162.52 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.454 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.99 -59.83 2.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.657 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 41.7 p -129.06 128.46 43.61 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.584 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.51 -141.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . 0.56 HD22 ' N ' ' A' ' 748' ' ' LEU . 3.7 mm? -77.44 123.24 26.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.624 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 749' ' ' LEU . 10.2 mp -78.15 -175.74 4.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.253 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.43 164.01 0.29 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.316 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.12 107.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.387 0 C-N-CA 122.678 2.252 . . . . 0.0 111.881 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 752' ' ' LEU . 0.2 OUTLIER -45.19 103.8 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.624 -179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -76.48 159.77 30.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.59 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 755' ' ' THR . 1.0 OUTLIER -82.56 120.43 25.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.265 179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 754' ' ' ASP . 0.0 OUTLIER 31.09 69.24 0.72 Allowed Pre-proline 0 N--CA 1.469 0.496 0 O-C-N 123.73 0.644 . . . . 0.0 111.021 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -75.12 161.35 38.56 Favored 'Trans proline' 0 C--N 1.309 -1.519 0 C-N-CA 122.32 2.013 . . . . 0.0 112.336 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -38.59 155.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.377 2.051 . . . . 0.0 112.179 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.26 -164.46 0.16 Allowed 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.678 2.252 . . . . 0.0 111.694 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -142.69 125.64 16.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.095 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 70.3 p -150.32 -124.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.555 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.7 mp -131.19 136.35 48.21 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.498 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 48.3 mtp -127.55 155.49 43.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.066 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' 1547 ' ' LEU . 72.5 t -103.14 122.53 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.799 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . 0.581 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -127.31 124.12 37.96 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 766' ' ' THR . 53.4 mt -106.99 117.23 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.21 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 765' ' ' ILE . 10.2 t -35.14 134.24 0.27 Allowed 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 123.487 0.492 . . . . 0.0 110.76 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -77.86 -17.52 57.27 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.547 -178.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -71.51 -56.47 5.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 9.6 mt -82.54 37.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.335 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 771' ' ' SER . 0.6 OUTLIER -112.86 -51.76 2.82 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 3.0 p 84.42 -56.32 0.12 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.684 0.278 . . . . 0.0 110.911 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . 0.53 ' CZ ' ' NE2' ' A' 1524 ' ' GLN . 58.8 mtt180 -86.26 132.66 33.94 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.661 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.9 mp -128.88 97.41 26.93 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -46.0 135.21 14.44 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.519 2.146 . . . . 0.0 112.367 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.27 150.3 72.61 Favored Pre-proline 0 C--N 1.327 -0.409 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.468 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.18 162.23 41.11 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.392 2.062 . . . . 0.0 112.397 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.3 165.24 29.42 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.726 2.284 . . . . 0.0 111.696 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -88.23 -91.91 1.07 Allowed Glycine 0 CA--C 1.52 0.348 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -80.84 149.38 67.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.063 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' 1001 ' ' MET . 77.0 Cg_exo -39.27 -65.15 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.461 2.107 . . . . 0.0 112.305 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' 1000 ' ' PRO . 31.5 mtt 56.02 113.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.577 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -157.72 106.6 0.29 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 13.9 m -67.19 -161.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.354 . . . . 0.0 110.579 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 24.7 t0 -162.89 -6.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.596 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -61.07 -69.42 0.24 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.693 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 13.1 mm100 54.93 82.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.68 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 13.0 mm -60.42 129.9 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.462 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -70.52 99.64 1.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.611 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -71.82 -166.9 0.24 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.587 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -162.59 58.47 0.29 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' 1499 ' ' CYS . 7.6 pt-20 -47.24 -40.13 15.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.722 0.296 . . . . 0.0 110.445 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . 0.53 ' SG ' ' N ' ' A' 1500 ' ' ASP . 41.6 t 55.48 163.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.436 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . 0.53 ' N ' ' SG ' ' A' 1499 ' ' CYS . 3.6 m-20 -85.92 123.03 30.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.329 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 66.3 mttm -141.57 -103.67 0.14 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.431 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' 1504 ' ' LEU . . . -165.53 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 35.0 t80 -39.48 -27.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.013 0.435 . . . . 0.0 110.961 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' 1502 ' ' ALA . 18.6 mt -53.64 -37.11 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.33 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' 1506 ' ' GLU . 26.7 p-10 -46.58 -47.48 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.611 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . 0.437 ' N ' ' OD1' ' A' 1505 ' ' ASP . 33.4 tt0 -55.81 -60.74 3.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.607 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . 0.55 ' O ' ' CE1' ' A' 1511 ' ' HIS . 12.9 mt -51.04 -47.25 61.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.77 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 79.6 t -55.37 -56.14 13.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.297 0.57 . . . . 0.0 110.396 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . 0.514 ' OE2' ' NH2' ' A' 1512 ' ' ARG . 25.7 tp10 -53.67 -44.68 69.88 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.413 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.8 tp -47.59 -61.81 1.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' 1507 ' ' LEU . 2.3 m-70 -38.99 -41.26 0.75 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.786 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.514 ' NH2' ' OE2' ' A' 1509 ' ' GLU . 13.6 mtm180 -64.86 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.417 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -41.19 -25.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' 1512 ' ' ARG . 4.7 mt -75.23 -36.65 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.344 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' 1512 ' ' ARG . 13.4 mtp -65.51 -30.8 71.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.604 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.1 m -91.66 46.94 1.32 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.621 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 tp -117.01 130.81 56.93 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -154.36 67.68 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1520 ' ' ARG . 29.2 mt-10 -133.38 -6.08 2.95 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.636 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' 1522 ' ' ILE . 47.9 mtm180 48.64 -178.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.204 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 37.5 t-80 72.89 -33.47 0.27 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.881 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' 1520 ' ' ARG . 45.3 mt -84.59 -41.47 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.274 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' 1527 ' ' VAL . 53.9 mt -45.79 -34.16 3.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.541 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . 0.53 ' NE2' ' CZ ' ' A' ' 772' ' ' ARG . 12.8 tt0 -66.83 -25.46 66.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.69 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' 1522 ' ' ILE . 56.4 mm-40 -90.02 -4.6 57.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.851 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 98.9 mt -105.32 -25.78 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.463 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' 1523 ' ' LEU . 48.3 t -90.95 -47.64 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.5 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -63.52 -43.44 97.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.583 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 26.6 tp -51.53 -49.91 61.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.635 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' 1530 ' ' ILE . 1.4 mp -74.52 -38.14 45.44 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.186 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -41.1 -47.47 3.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.744 0.307 . . . . 0.0 110.848 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.38 -21.98 6.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.554 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.468 ' O ' ' O ' ' A' 1534 ' ' GLY . 0.0 OUTLIER -128.99 106.99 9.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.578 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . -47.37 178.04 0.01 OUTLIER Glycine 0 C--N 1.339 0.741 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . 0.578 ' CB ' ' O ' ' A' 1534 ' ' GLY . 53.8 t60 111.12 29.84 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.47 0.708 . . . . 0.0 110.742 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 55.4 p90 -139.88 134.53 31.78 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 31.6 m80 -89.22 125.77 35.22 Favored 'General case' 0 CA--C 1.512 -0.499 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.5 tp -108.77 148.93 12.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.084 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.59 146.18 23.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.017 178.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -69.65 3.72 2.31 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' 1542 ' ' THR . 77.7 p -138.91 -5.1 1.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.403 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.47 HG22 ' N ' ' A' 1543 ' ' PHE . 87.8 m -168.41 156.56 8.38 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-O 120.801 0.334 . . . . 0.0 110.526 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . 0.47 ' N ' HG22 ' A' 1542 ' ' THR . 0.0 OUTLIER -159.98 125.86 4.18 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' A' 1544 ' ' ASP . 9.6 p-10 -135.34 -170.93 2.7 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.23 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -174.3 173.6 3.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.347 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -114.41 118.85 35.0 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.081 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.719 ' H ' HD12 ' A' 1547 ' ' LEU . 0.1 OUTLIER -87.92 -10.23 51.24 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 -179.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 11.7 p -92.23 7.85 40.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.536 ' CB ' ' NE2' ' A' 1535 ' ' HIS . 49.5 m -106.53 -51.89 2.87 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.493 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 40.4 mt -66.65 165.85 14.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -46.25 154.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.534 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -70.92 -16.49 62.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.663 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 41.4 p -66.9 -42.01 86.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.677 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 24.6 m -56.91 -35.62 69.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.534 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.2 t -71.09 -38.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.791 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.345 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -65.94 -54.31 27.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.44 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 61.7 mt -49.55 -59.78 3.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.643 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.61 -41.97 15.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 3.9 t -52.87 -66.5 0.37 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.845 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' 1563 ' ' GLU . 1.4 m-85 -53.32 -36.84 61.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.67 -1.3 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.413 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' 1561 ' ' TYR . 43.1 mt-10 -140.94 67.15 1.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.883 0.373 . . . . 0.0 110.34 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 2.4 p -76.28 -36.59 58.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.142 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 62.8 p -59.14 -91.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.522 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 160.24 73.28 0.02 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 68.8 p -50.19 175.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 44.1 m . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.532 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . 0.4 HH11 ' HB3' ' A' ' 738' ' ' ARG . 24.3 mtm105 -51.25 154.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.571 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 5.6 tp 48.93 70.66 1.95 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.8 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -48.87 165.7 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.709 2.272 . . . . 0.0 112.265 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.401 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 11.9 mt 47.47 57.18 17.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.505 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 40.4 Cg_endo -68.11 -164.57 0.1 Allowed 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.722 2.281 . . . . 0.0 111.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 18.8 tp -149.59 -65.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.81 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -76.88 170.77 15.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.633 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 745' ' ' ASP . 17.0 p-10 -166.63 116.96 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 47.3 p -76.42 -115.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.587 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -140.08 74.59 1.47 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.621 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 748' ' ' LEU . 8.7 mp -78.5 -85.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.403 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.462 HD23 ' C ' ' A' ' 749' ' ' LEU . 1.5 tt -171.58 84.23 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.149 0.5 . . . . 0.0 110.508 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . 0.574 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.0 OUTLIER 179.74 -46.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.305 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 750' ' ' SER . 37.2 Cg_exo -56.23 114.42 1.89 Allowed 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.609 2.206 . . . . 0.0 112.259 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 10.3 mt 52.56 67.8 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.514 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -98.51 7.93 45.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.615 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . 0.447 ' O ' ' O ' ' A' ' 755' ' ' THR . 43.9 t0 -149.94 82.38 1.39 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.678 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 754' ' ' ASP . 2.6 p 58.3 146.52 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.774 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.36 162.37 42.63 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.377 2.051 . . . . 0.0 112.245 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -39.21 102.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.152 0 C-N-CA 122.841 2.36 . . . . 0.0 111.968 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_exo -48.02 127.61 15.15 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.494 2.129 . . . . 0.0 112.254 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -138.06 55.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 8.0 t -154.87 -133.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.277 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.7 128.72 39.57 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.83 117.6 26.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.687 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.96 121.9 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 C-N-CA 120.544 -0.462 . . . . 0.0 109.986 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . 0.449 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.0 OUTLIER -130.76 127.42 38.7 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.122 0.487 . . . . 0.0 110.58 -179.253 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . 0.646 HD12 ' N ' ' A' ' 765' ' ' ILE . 2.7 mp -106.55 114.0 44.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.101 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 767' ' ' LEU . 58.9 m -48.18 161.98 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.559 ' N ' HG22 ' A' ' 766' ' ' THR . 3.5 mm? -87.19 -43.36 12.29 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.78 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -51.66 -20.47 2.06 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 32.7 mt -100.16 10.51 41.14 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.022 0.439 . . . . 0.0 110.833 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 16.0 mt -114.93 145.55 42.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.023 0.439 . . . . 0.0 110.394 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 15.8 m -108.61 -20.6 13.04 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.546 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 11.3 mmt85 -127.09 139.86 52.69 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.178 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 773' ' ' ILE . 4.0 mp -127.53 108.39 20.91 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.494 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -45.0 131.41 10.74 Favored 'Trans proline' 0 C--N 1.314 -1.267 0 C-N-CA 122.574 2.183 . . . . 0.0 112.492 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -75.35 146.12 80.79 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 777' ' ' PRO . 36.2 Cg_endo -65.1 112.73 2.14 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.71 2.273 . . . . 0.0 112.167 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . 0.443 ' O ' ' O ' ' A' ' 776' ' ' PRO . 52.6 Cg_exo -48.18 -174.47 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.474 2.116 . . . . 0.0 112.348 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -53.6 -73.0 0.45 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' 1000 ' ' PRO . 5.7 ptmm? -158.85 77.59 3.16 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.457 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . 0.437 ' O ' ' O ' ' A' ' 779' ' ' LYS . 50.0 Cg_exo -51.23 -167.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.636 2.224 . . . . 0.0 112.062 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 8.9 tpt -150.73 -44.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 82.74 113.02 0.48 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 84.6 p -77.07 160.48 29.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 29.4 p30 -92.51 168.94 10.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.519 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 52.1 tttm -78.66 112.96 16.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -133.69 -174.63 3.57 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 67.7 mt 48.78 84.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.593 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -73.22 101.59 3.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 9.2 m120 -75.44 -29.43 59.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.592 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 77.08 -166.2 53.77 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -79.68 154.67 28.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.322 . . . . 0.0 110.453 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . 0.578 ' C ' ' H ' ' A' 1501 ' ' LYS . 20.2 t -133.92 108.79 8.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.249 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' 1502 ' ' ALA . 6.3 t0 69.43 -21.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.448 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.578 ' H ' ' C ' ' A' 1499 ' ' CYS . 0.8 OUTLIER 69.63 -35.25 0.31 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.799 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' 1500 ' ' ASP . . . -88.67 -13.74 39.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.477 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 63.5 t80 -59.37 -30.1 68.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.661 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 39.9 mt -54.82 -32.76 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.366 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -46.92 -44.55 19.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.511 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -67.42 -52.66 37.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.617 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 6.9 mt -47.93 -49.83 28.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 75.6 t -57.67 -52.4 58.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.378 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.85 -14.91 63.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.735 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 4.9 tp -79.25 -44.32 21.99 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.27 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -53.79 -40.29 66.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.107 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' 1515 ' ' MET . 53.3 ttp180 -65.7 -70.66 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.919 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -37.92 -29.91 0.03 OUTLIER 'General case' 0 N--CA 1.46 0.049 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1516 ' ' THR . 14.2 mt -80.21 -39.03 29.98 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.533 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.6 ttm -60.82 76.47 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.644 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . 0.505 ' N ' ' O ' ' A' 1514 ' ' LEU . 16.7 p 55.84 83.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.761 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 6.4 tp -65.86 -82.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.695 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 -153.04 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.462 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.036 0.446 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 12.7 ttm-85 54.44 42.77 31.18 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.481 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -150.93 6.11 0.51 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.488 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 14.6 pt -103.67 -4.47 9.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.876 0.37 . . . . 0.0 110.334 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 30.5 mt -63.4 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.637 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.81 -6.08 2.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.651 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -107.66 -25.73 11.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 87.2 mt -79.02 -44.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.741 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.5 t -56.95 -44.14 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 111.109 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . 0.405 HD22 ' N ' ' A' 1528 ' ' ASN . 1.8 m-80 -63.06 -36.8 84.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.108 0.48 . . . . 0.0 110.607 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.67 -48.52 77.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.114 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 9.7 mm -71.49 -36.06 59.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.765 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -55.73 -26.72 46.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.1 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -84.07 -39.23 19.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.223 0.535 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' 1534 ' ' GLY . 78.5 p -69.53 -80.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.759 -178.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' 1535 ' ' HIS . . . 136.14 168.82 11.6 Favored Glycine 0 C--N 1.331 0.269 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . 0.43 ' CB ' ' O ' ' A' 1534 ' ' GLY . 2.1 t-160 77.99 52.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.114 0 O-C-N 122.473 -0.428 . . . . 0.0 110.805 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 10.4 p90 -143.4 135.85 27.22 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -89.7 128.26 36.06 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 tp -109.41 146.97 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.583 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -153.54 143.41 21.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.053 0.454 . . . . 0.0 109.902 178.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -68.88 3.44 1.98 Allowed 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 3.0 p -134.7 -10.57 2.39 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.489 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.9 t -167.35 156.63 10.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.266 0.555 . . . . 0.0 110.61 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' 1543 ' ' PHE . 0.0 OUTLIER -157.68 125.53 5.34 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 3.7 p30 -135.66 -168.76 2.26 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.066 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -170.2 166.76 8.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.377 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1546 ' ' ASP . 0.6 OUTLIER -112.27 109.51 19.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.371 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 7.3 mt -78.37 -6.05 54.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.061 0.458 . . . . 0.0 109.937 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 27.6 p -76.09 8.49 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.411 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 41.0 t -134.43 -36.04 0.89 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.491 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 41.3 mt -64.88 142.14 58.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -46.9 153.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -12.3 60.84 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.548 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 61.3 p -67.4 -51.45 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.387 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.9 m -53.04 -44.44 67.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.368 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 12.3 t -66.13 -41.1 88.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.677 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 45.5 ttm-85 -63.02 -39.08 93.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.095 0.474 . . . . 0.0 110.694 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -68.36 -44.75 74.55 Favored 'General case' 0 C--O 1.242 0.691 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.974 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 14.3 mt -55.05 -68.1 0.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.48 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . 0.656 ' HA ' HD12 ' A' 1562 ' ' LEU . 5.8 pt20 -43.55 -39.19 3.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.234 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' 1564 ' ' THR . 1.2 t -48.5 -57.23 6.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.417 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -61.89 -34.67 76.47 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.259 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . 0.656 HD12 ' HA ' ' A' 1559 ' ' GLN . 97.1 mt -60.03 -10.73 4.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.989 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -175.43 47.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' 1560 ' ' SER . 5.1 t -66.41 -18.24 65.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.527 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 5.2 t 60.04 -153.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -75.58 87.33 0.83 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 89.8 m -63.91 -82.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.861 0.362 . . . . 0.0 110.558 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 39.7 t . . . . . 0 C--O 1.221 -0.412 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.629 -179.862 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.54 102.58 5.36 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.6 70.98 17.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.337 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.74 -71.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 122.949 2.432 . . . . 0.0 111.828 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 0.6 OUTLIER -98.31 -44.46 0.24 Allowed Pre-proline 0 C--N 1.332 -0.173 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.519 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 47.0 Cg_exo -54.55 106.67 0.18 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.331 2.021 . . . . 0.0 111.908 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . 0.456 ' C ' HD23 ' A' ' 743' ' ' LEU . 1.6 tt -158.12 -61.74 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.41 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . 0.425 ' O ' HG22 ' A' ' 746' ' ' THR . 11.0 ttm180 -69.71 -28.28 65.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.617 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -66.8 91.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.646 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 744' ' ' ARG . 0.3 OUTLIER -161.82 9.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.602 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -140.09 112.74 7.98 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.96 0.409 . . . . 0.0 110.602 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 748' ' ' LEU . 8.3 mp -78.02 -13.88 59.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.64 -138.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.578 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . 0.553 ' H ' ' HD2' ' A' ' 751' ' ' PRO . 0.0 OUTLIER -177.33 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.206 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 750' ' ' SER . 40.9 Cg_exo -55.73 144.83 74.53 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.518 2.145 . . . . 0.0 111.765 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.452 ' C ' HD13 ' A' ' 752' ' ' LEU . 0.3 OUTLIER 71.29 96.62 0.07 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.535 179.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -143.84 -4.19 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.555 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -155.62 163.81 39.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.569 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 9.2 m 59.17 72.56 0.79 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.465 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.53 161.31 31.35 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.412 2.074 . . . . 0.0 112.34 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -43.91 149.45 0.76 Allowed 'Trans proline' 0 C--N 1.311 -1.423 0 C-N-CA 122.376 2.051 . . . . 0.0 112.539 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -74.0 7.2 2.56 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 122.594 2.196 . . . . 0.0 111.977 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 58.76 -101.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.423 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 23.3 t 44.45 -138.19 0.4 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.512 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . 0.417 HD23 ' HD1' ' A' 1511 ' ' HIS . 4.7 mp -133.59 135.31 44.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 60.9 mtp -128.35 119.63 25.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.704 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 96.7 t -68.66 122.25 19.59 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.75 124.86 36.6 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.19 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 71.2 mt -106.27 114.19 44.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 4.7 m -45.57 148.47 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.572 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.443 ' C ' ' H ' ' A' ' 769' ' ' LEU . 4.0 mm? -83.15 -33.53 26.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.677 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.9 OUTLIER -57.31 -5.58 0.32 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.78 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 767' ' ' LEU . 48.7 mt -117.23 15.93 14.89 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 6.3 mt -123.87 156.74 35.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.165 0.507 . . . . 0.0 109.948 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 50.5 m -112.61 -64.57 1.28 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.725 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -91.69 133.51 35.52 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.86 129.41 24.03 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.84 145.21 0.77 Allowed 'Trans proline' 0 N--CA 1.489 1.234 0 C-N-CA 122.551 2.168 . . . . 0.0 112.346 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -64.04 141.16 98.02 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.253 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.04 107.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.316 -1.134 0 C-N-CA 122.561 2.174 . . . . 0.0 112.338 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.8 123.53 6.39 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 122.57 2.18 . . . . 0.0 111.855 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -74.44 115.86 4.97 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 40.1 tttp 42.37 79.64 0.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.522 0.201 . . . . 0.0 110.927 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' 1001 ' ' MET . 60.1 Cg_endo -78.16 27.97 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.564 2.176 . . . . 0.0 112.05 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' 1000 ' ' PRO . 7.9 ptm 31.1 -121.94 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.544 0.528 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 77.65 53.46 5.01 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 24.3 p -77.56 175.81 9.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.845 0.355 . . . . 0.0 110.655 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -70.82 -177.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.281 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 57.3 mttm -114.41 10.64 17.06 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 24.7 mm100 54.31 -103.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.339 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 20.1 tt -48.8 160.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.342 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.611 ' CG ' ' H ' ' A' 1496 ' ' ASN . 7.0 ptmt -147.67 -69.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.754 -179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . 0.611 ' H ' ' CG ' ' A' 1495 ' ' LYS . 14.6 t-20 49.36 104.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.934 0.397 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 71.04 107.39 0.04 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' 1499 ' ' CYS . 13.4 pt-20 -81.43 -5.06 57.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.74 0.305 . . . . 0.0 110.448 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . 0.442 ' O ' ' O ' ' A' 1498 ' ' GLU . 55.5 m 56.64 114.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.571 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' 1502 ' ' ALA . 1.0 OUTLIER -142.2 -72.55 0.32 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.484 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.422 ' H ' ' CG ' ' A' 1500 ' ' ASP . 3.3 ttmp? 54.33 -83.34 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.465 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' 1500 ' ' ASP . . . -160.63 -11.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.522 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . 0.429 ' H ' ' H ' ' A' 1502 ' ' ALA . 51.5 t80 -50.72 -41.62 56.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.775 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.0 pp -51.37 -26.43 7.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.642 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -49.85 -39.12 37.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.388 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -69.76 -60.34 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.669 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' 1507 ' ' LEU . 55.6 mt -48.3 -47.63 36.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 54.9 t -57.13 -59.22 3.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-O 121.117 0.484 . . . . 0.0 110.598 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.04 -29.06 67.0 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.805 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.72 -53.14 29.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.562 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . 0.417 ' HD1' HD23 ' A' ' 761' ' ' LEU . 9.6 t-160 -40.6 -43.7 1.96 Allowed 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.38 0.609 . . . . 0.0 110.275 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' 1515 ' ' MET . 41.4 ttt85 -64.89 -71.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.935 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 16.5 ttp-105 -42.11 -26.1 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.791 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' 1512 ' ' ARG . 31.6 mt -76.03 -35.57 59.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' 1512 ' ' ARG . 6.4 mmt -64.04 -14.64 55.88 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.343 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 5.1 m -64.32 -44.35 91.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.291 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 24.8 tp 58.06 -97.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 54.55 52.03 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -169.3 177.61 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.488 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.557 ' O ' ' CG ' ' A' 1521 ' ' HIS . 4.8 ptp180 -176.5 67.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.605 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' 1520 ' ' ARG . 5.9 m80 -174.5 -17.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.412 HG21 HD13 ' A' 1522 ' ' ILE . 8.0 mt -98.56 -22.01 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.983 0.42 . . . . 0.0 110.161 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 54.6 mt -52.38 -32.19 37.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . 0.48 ' O ' ' ND2' ' A' 1528 ' ' ASN . 9.0 pt20 -60.52 -8.0 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.637 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . 0.57 ' O ' HD13 ' A' 1529 ' ' LEU . 57.2 mt-30 -105.25 -42.36 5.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.54 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.59 -53.0 54.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 41.3 t -55.93 -44.07 76.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.983 0.42 . . . . 0.0 110.613 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' 1524 ' ' GLN . 1.3 m-20 -62.67 -48.22 80.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.483 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -48.37 -55.93 9.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 0.0 110.708 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . 0.442 ' O ' ' OG1' ' A' 1533 ' ' THR . 20.5 mm -67.61 -38.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.314 0.578 . . . . 0.0 110.807 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -46.71 -39.85 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.686 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -64.31 -31.27 72.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.96 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' 1534 ' ' GLY . 53.4 p -59.81 -97.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.424 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.503 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 145.9 6.21 0.41 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 23.1 m170 -120.78 59.73 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.904 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 20.5 p90 -142.35 133.29 25.78 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 19.6 m80 -90.45 129.13 36.67 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.2 tp -109.4 146.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.225 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -153.65 144.82 22.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.89 178.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 2.6 m120 -67.38 1.92 1.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.647 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . 0.434 ' O ' ' OG1' ' A' 1542 ' ' THR . 12.1 p -141.44 0.44 1.48 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' 1539 ' ' THR . 20.9 m -167.99 147.27 4.74 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-O 120.939 0.399 . . . . 0.0 110.661 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -157.11 120.1 4.03 Favored 'General case' 0 C--O 1.239 0.519 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 2.1 p30 -136.09 -168.72 2.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.456 0.646 . . . . 0.0 110.793 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 9.6 p90 -173.06 171.78 4.09 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.403 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' 1546 ' ' ASP . 14.0 p-10 -119.0 112.43 19.57 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.151 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -79.52 -3.66 47.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.105 -179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 18.7 t -67.13 -12.9 61.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 70.1 m -104.19 -54.48 2.54 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.876 0.37 . . . . 0.0 110.648 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 19.7 mt -42.69 139.84 1.48 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -46.09 155.24 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.359 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -65.67 -18.13 65.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.264 0.554 . . . . 0.0 110.659 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 29.5 p -71.6 -31.93 67.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.376 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 8.8 m -57.67 -57.69 11.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 5.1 m -60.49 -39.32 80.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.575 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' 1560 ' ' SER . 37.1 ttm180 -61.57 -42.9 99.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.23 0.538 . . . . 0.0 110.45 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -68.21 -47.25 68.39 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.42 0.629 . . . . 0.0 110.57 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 34.7 mt -54.55 -61.25 2.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . 0.421 ' O ' ' OE2' ' A' 1563 ' ' GLU . 77.7 mt-30 -44.17 -38.19 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.147 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.3 m -53.51 -72.11 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.575 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -45.86 -37.89 6.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.24 0.543 . . . . 0.0 110.404 -179.575 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . 0.411 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 3.0 mt -59.73 -47.66 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.826 -178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' 1564 ' ' THR . 0.5 OUTLIER -69.74 -88.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.262 -179.51 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' 1563 ' ' GLU . 20.2 p 50.97 74.72 0.22 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.438 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 58.0 m -155.61 84.47 1.04 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.602 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 179.2 -32.5 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 76.0 p -60.57 169.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.509 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -155.59 88.96 1.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.3 OUTLIER -157.7 50.68 0.43 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.198 0.523 . . . . 0.0 110.064 -179.463 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 30.4 Cg_endo -62.62 145.65 95.24 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.699 2.266 . . . . 0.0 111.48 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 tp -150.11 60.15 4.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.349 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.95 -45.17 0.74 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.663 2.242 . . . . 0.0 111.962 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 744' ' ' ARG . 6.7 tp 43.88 89.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.566 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 743' ' ' LEU . 17.6 mmt180 55.9 111.64 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -72.18 8.97 1.1 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 744' ' ' ARG . 73.7 m -93.15 -80.8 0.37 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . 0.432 ' HZ1' HD21 ' A' ' 749' ' ' LEU . 4.1 mtmp? 52.99 97.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.537 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 748' ' ' LEU . 5.9 mp -76.92 96.95 4.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.534 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.432 HD21 ' HZ1' ' A' ' 747' ' ' LYS . 18.4 mt -85.38 44.0 1.06 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.012 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 2.7 p -49.39 151.01 2.9 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.625 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.04 156.97 63.57 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.625 2.216 . . . . 0.0 111.656 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 753' ' ' ARG . 0.3 OUTLIER -103.73 73.62 1.19 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.954 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 752' ' ' LEU . 27.8 ttm180 54.09 104.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.294 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -66.52 132.93 49.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 7.1 p -97.28 148.95 35.16 Favored Pre-proline 0 C--O 1.236 0.379 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.656 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.18 116.25 3.92 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.154 1.903 . . . . 0.0 111.84 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.09 161.62 32.44 Favored 'Trans proline' 0 N--CA 1.496 1.638 0 C-N-CA 121.929 1.753 . . . . 0.0 112.172 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -38.84 -62.7 0.31 Allowed 'Trans proline' 0 N--CA 1.491 1.345 0 C-N-CA 122.813 2.342 . . . . 0.0 112.124 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 60.92 74.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.324 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 10.2 m -137.03 -127.23 0.14 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.46 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.5 mp -130.42 133.63 46.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.275 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 53.7 mmm -127.23 118.18 23.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.68 125.19 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.317 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -127.23 124.77 39.69 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.3 mt -107.21 117.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.432 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.1 m -37.15 102.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.593 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.741 ' O ' HD22 ' A' ' 770' ' ' LEU . 5.7 tt -73.97 -7.74 53.49 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.099 -178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.83 -30.68 71.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.546 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 21.3 mt -112.49 31.09 6.58 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.956 0.407 . . . . 0.0 111.326 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.902 HD23 ' H ' ' A' ' 771' ' ' SER . 1.0 OUTLIER -77.77 -38.85 45.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.52 178.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . 0.902 ' H ' HD23 ' A' ' 770' ' ' LEU . 1.2 m 76.75 -76.71 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.685 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -81.51 124.8 29.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 770' ' ' LEU . 2.3 mp -114.99 130.21 24.4 Favored Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.06 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.42 134.02 27.66 Favored 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 122.096 1.864 . . . . 0.0 111.495 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . 0.486 ' N ' ' CD ' ' A' ' 775' ' ' GLN . 0.0 OUTLIER -51.54 140.49 26.31 Favored Pre-proline 0 N--CA 1.445 -0.718 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.572 -179.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . 0.482 ' N ' ' HD2' ' A' ' 777' ' ' PRO . 27.7 Cg_exo -47.37 -48.51 15.04 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 122.184 1.923 . . . . 0.0 112.676 178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 776' ' ' PRO . 58.0 Cg_endo -70.76 177.2 6.53 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.95 1.767 . . . . 0.0 112.307 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 96.94 69.16 0.98 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -133.49 57.26 25.06 Favored Pre-proline 0 N--CA 1.465 0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.417 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.67 -164.59 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.736 2.291 . . . . 0.0 111.937 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 13.3 mmt -69.13 108.68 3.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.39 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -93.59 -77.13 1.36 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 75.8 m -77.59 175.08 10.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.534 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . 0.466 ' O ' ' O ' ' A' 1492 ' ' LYS . 22.8 t70 -170.78 106.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . 0.48 ' CD ' ' N ' ' A' 1492 ' ' LYS . 3.0 mptp? 57.48 143.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' 1494 ' ' ILE . 0.3 OUTLIER -151.12 -36.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.402 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . 0.704 ' N ' HD12 ' A' 1494 ' ' ILE . 1.7 mp 55.51 111.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.219 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 49.4 mttp -68.17 -152.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.395 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' 1496 ' ' ASN . 6.9 p30 41.13 92.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.715 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 169.56 136.92 2.15 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 53.49 -174.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.68 0.276 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 59.8 m -150.13 -159.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.54 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -172.34 76.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.486 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.542 ' C ' ' H ' ' A' 1503 ' ' TYR . 66.9 mmtt -115.69 128.21 55.73 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 71.17 -28.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.627 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . 0.542 ' H ' ' C ' ' A' 1501 ' ' LYS . 30.0 t80 -45.65 -41.3 10.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.727 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.535 HD23 ' H ' ' A' 1504 ' ' LEU . 0.2 OUTLIER -44.96 -16.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.652 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' 1503 ' ' TYR . 90.3 m-20 -56.71 -54.71 43.01 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.189 0.519 . . . . 0.0 110.976 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -66.68 -33.87 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.721 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.5 -45.27 80.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' 1504 ' ' LEU . 48.8 t -57.48 -49.08 81.45 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 121.21 0.529 . . . . 0.0 109.79 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -58.12 -45.64 86.93 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 6.0 tp -49.0 -48.04 43.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.041 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . 0.409 ' O ' ' ND1' ' A' 1511 ' ' HIS . 1.5 t60 -49.9 -41.15 45.18 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' 1515 ' ' MET . 92.8 mtt180 -63.63 -66.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.068 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -40.88 -29.36 0.1 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.053 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.431 HD21 HD12 ' A' 1558 ' ' LEU . 7.9 mt -75.32 -39.19 59.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.087 0.47 . . . . 0.0 110.685 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' 1512 ' ' ARG . 32.6 ttm -63.5 -48.6 76.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.007 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 4.3 m -82.51 49.02 1.38 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 111.161 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' 1517 ' ' LEU . 1.4 pp -49.4 177.18 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.552 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . 0.666 ' N ' ' NE ' ' A' 1518 ' ' ARG . 0.0 OUTLIER -165.97 25.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.642 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -172.02 145.49 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.268 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.551 ' C ' ' H ' ' A' 1522 ' ' ILE . 1.5 mpt_? -100.68 -165.96 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 9.7 t-80 70.44 -21.9 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.674 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.551 ' H ' ' C ' ' A' 1520 ' ' ARG . 95.6 mt -87.83 -40.55 13.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.118 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.88 -37.97 15.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 770' ' ' LEU . 3.2 mm100 -73.04 -28.25 62.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.277 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' 1522 ' ' ILE . 79.7 mt-30 -78.0 -10.56 59.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.718 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . 0.438 HG12 HD11 ' A' 1558 ' ' LEU . 89.6 mt -99.79 -48.16 11.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.7 t -56.35 -45.66 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-O 120.944 0.402 . . . . 0.0 111.017 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -64.12 -49.65 71.35 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 120.976 0.417 . . . . 0.0 110.645 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 4.3 tp -48.77 -36.27 16.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.8 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 46.4 mm -80.85 -28.04 11.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.032 0.444 . . . . 0.0 110.486 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -58.7 -29.2 66.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.093 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.82 -37.36 67.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.484 ' OG1' ' N ' ' A' 1534 ' ' GLY . 64.7 p -54.1 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.807 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.484 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 156.51 -43.69 0.53 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -78.6 62.8 3.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.833 0.349 . . . . 0.0 111.939 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -143.34 133.52 24.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -96.95 134.24 40.56 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.249 -179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -109.51 146.73 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.446 ' O ' HD13 ' A' ' 767' ' ' LEU . 0.2 OUTLIER -152.64 142.71 22.3 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.154 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.9 5.13 1.66 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.738 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 82.4 p -131.06 -15.8 3.28 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -167.57 162.82 14.49 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.223 0.535 . . . . 0.0 110.494 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.94 127.28 5.19 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' 1544 ' ' ASP . 35.4 p-10 -137.83 -169.47 2.56 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -170.09 169.39 8.0 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.516 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -110.81 107.39 16.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.521 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 56.3 mt -74.11 -7.03 51.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 60.5 m -84.15 9.01 13.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.636 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 73.4 m -127.49 -24.62 3.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 14.2 mt -83.72 171.4 13.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.577 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.94 153.64 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 58.5 mttp -68.73 -11.4 60.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 82.3 p -66.96 -52.43 42.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.498 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 7.4 p -53.62 -38.41 64.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.052 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 11.5 t -69.27 -40.24 80.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.916 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -61.71 -38.44 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.254 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 61.8 mttp -63.6 -57.56 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . 0.438 HD11 HG12 ' A' 1526 ' ' ILE . 3.6 mm? -46.44 -56.83 5.34 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 121.025 0.44 . . . . 0.0 111.073 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . 0.415 ' O ' ' OE1' ' A' 1559 ' ' GLN . 0.1 OUTLIER -48.37 -44.48 34.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.246 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 6.9 t -52.52 -72.26 0.06 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.971 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.52 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.4 OUTLIER -50.89 -36.85 40.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 -179.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 48.6 mt -61.31 -19.4 61.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.559 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -141.02 79.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 47.0 m -135.36 75.75 1.58 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.373 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.9 t -69.33 135.48 50.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.316 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 62.15 -160.69 30.73 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 31.1 m -76.69 -24.81 53.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.795 0.331 . . . . 0.0 110.555 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.677 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 738' ' ' ARG . 2.7 m . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . 0.494 ' H ' HG22 ' A' ' 1' ' ' THR . 55.8 mtp85 43.09 63.17 1.58 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.354 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.03 145.65 99.01 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -38.51 155.71 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.153 0 C-N-CA 122.319 2.012 . . . . 0.0 112.19 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.436 ' N ' ' HD2' ' A' ' 742' ' ' PRO . 0.8 OUTLIER 171.55 -52.25 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.186 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 741' ' ' LEU . 66.1 Cg_endo -75.73 128.19 10.74 Favored 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 121.776 1.651 . . . . 0.0 112.24 -179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 46.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.263 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.69 38.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.133 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -74.03 121.18 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 28.4 p -150.92 109.63 3.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp 54.29 174.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.8 tp -50.64 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.683 HD13 ' H ' ' A' ' 750' ' ' SER . 0.1 OUTLIER -93.31 144.53 25.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.971 0.415 . . . . 0.0 109.96 -179.692 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . 0.683 ' H ' HD13 ' A' ' 749' ' ' LEU . 3.0 p -137.32 149.42 65.63 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 750' ' ' SER . 73.2 Cg_exo -40.24 168.52 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 122.574 2.183 . . . . 0.0 112.171 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.08 178.53 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.282 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -93.32 -57.57 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.507 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 755' ' ' THR . 31.8 t0 -55.53 150.35 12.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.348 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.523 ' N ' ' OD1' ' A' ' 754' ' ' ASP . 7.5 m -153.06 75.4 6.7 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -49.85 156.68 3.12 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.77 2.314 . . . . 0.0 112.198 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -69.51 121.66 8.41 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.068 1.846 . . . . 0.0 111.926 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -43.95 -44.8 11.89 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.274 1.983 . . . . 0.0 112.575 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . 0.566 ' CD ' ' H ' ' A' ' 759' ' ' GLN . 1.6 pm0 -97.54 169.02 10.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 1.8 t -163.55 -89.55 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.496 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . 0.447 ' N ' ' OG ' ' A' ' 760' ' ' SER . 0.1 OUTLIER -155.74 119.7 4.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.134 179.244 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 15.9 mtp -112.04 150.06 31.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.092 179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 36.1 t -102.92 123.97 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -127.85 123.63 35.57 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.155 0.502 . . . . 0.0 109.738 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . 0.7 HG21 HD23 ' A' ' 770' ' ' LEU . 56.5 mt -106.57 119.38 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.997 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . 0.436 ' O ' ' O ' ' A' ' 765' ' ' ILE . 0.2 OUTLIER -40.38 163.41 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.399 -179.364 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 767' ' ' LEU . 0.5 OUTLIER -96.35 -28.31 14.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.797 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 768' ' ' ASP . 0.4 OUTLIER -82.07 -32.31 30.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.8 -178.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 769' ' ' LEU . 3.6 mm? -78.43 -14.71 59.25 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.939 -179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.7 HD23 HG21 ' A' ' 765' ' ' ILE . 0.2 OUTLIER -79.58 -44.27 21.39 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.007 -179.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 770' ' ' LEU . 4.3 p 86.52 -41.74 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.032 -179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 770' ' ' LEU . 4.9 tpt180 -116.59 154.36 30.62 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.717 ' N ' HD12 ' A' ' 773' ' ' ILE . 0.1 OUTLIER -129.54 108.04 17.33 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.778 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -48.22 131.73 22.62 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.259 1.973 . . . . 0.0 112.067 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -51.31 149.35 7.42 Favored Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.358 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.5 149.45 74.52 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.006 1.804 . . . . 0.0 112.642 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.81 163.78 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.4 2.067 . . . . 0.0 112.087 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -108.69 -87.99 1.93 Allowed Glycine 0 N--CA 1.466 0.69 0 N-CA-C 110.188 -1.165 . . . . 0.0 110.188 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' A' 1000 ' ' PRO . 5.9 ttpm? -171.8 51.77 0.15 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.568 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 779' ' ' LYS . 56.9 Cg_endo -69.85 -167.55 0.23 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.708 2.272 . . . . 0.0 111.935 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 24.6 ptm -82.31 134.98 35.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -80.13 -105.53 0.27 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 38.6 m 50.21 -169.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 110.552 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -159.62 -53.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.55 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 62.9 mttm 54.16 103.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.478 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -172.28 146.2 1.82 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.519 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 12.5 pt -146.92 169.26 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 90.23 3.23 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -76.6 -49.94 15.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.481 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -168.49 -23.8 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -69.02 166.78 17.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 110.532 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 5.5 p -167.85 -107.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.532 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -165.19 53.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.529 ' O ' ' HB3' ' A' 1502 ' ' ALA . 9.3 tptp -77.61 98.74 5.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 72.03 -36.72 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.632 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' 1501 ' ' LYS . 35.8 t80 -42.21 -20.4 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 111.088 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' 1502 ' ' ALA . 2.2 pp -68.87 -33.31 73.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.279 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' 1506 ' ' GLU . 2.2 p30 -50.66 -43.83 57.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.352 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' 1505 ' ' ASP . 36.4 tp10 -62.15 -49.38 76.08 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.743 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 40.0 mt -55.57 -42.54 74.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.672 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 53.0 t -60.4 -51.33 74.26 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.23 0.538 . . . . 0.0 110.328 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -58.58 -46.68 86.43 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.474 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.4 tp -47.03 -63.97 0.9 Allowed 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' 1510 ' ' LEU . 4.3 t-80 -31.52 -40.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.593 0.558 . . . . 0.0 110.307 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.9 mtp85 -66.49 -72.9 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.651 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -40.5 -21.17 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.226 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' 1512 ' ' ARG . 11.9 mt -84.24 -35.87 23.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.545 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.511 ' SD ' ' O ' ' A' 1515 ' ' MET . 0.0 OUTLIER -64.33 78.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.703 -179.792 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' 1514 ' ' LEU . 3.9 m 50.45 83.34 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.621 179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.2 tp -64.25 -76.09 0.07 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.233 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -171.31 -57.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -83.84 145.25 28.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.624 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.447 ' O ' ' O ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -71.13 -151.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.411 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' 1523 ' ' LEU . 26.9 m80 46.95 -172.87 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 -178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . . . . . . . . . 17.5 mt 64.11 -41.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 123.339 0.399 . . . . 0.0 110.599 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' 1521 ' ' HIS . 18.5 mt -51.7 -44.77 63.27 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.911 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -72.01 -37.04 69.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -69.3 -13.88 62.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 1526 ' ' ILE . 78.0 mt -102.68 -12.94 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' 1523 ' ' LEU . 42.4 t -91.43 -50.09 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.757 0.313 . . . . 0.0 110.337 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.24 -37.56 87.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 16.7 tp -51.67 -56.31 14.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.606 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' 1533 ' ' THR . 5.9 mm -70.0 -41.38 79.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.086 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -38.48 -49.58 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -52.47 -15.34 0.64 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.839 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.642 HG23 ' O ' ' A' 1530 ' ' ILE . 70.7 p -66.09 -27.36 68.01 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.555 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 80.2 21.42 65.13 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -135.61 74.33 1.51 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.797 0.332 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . 0.616 ' CZ ' ' CG ' ' A' 1545 ' ' PHE . 0.2 OUTLIER -138.7 127.46 23.54 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.105 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . 0.488 ' C ' HD12 ' A' 1538 ' ' ILE . 40.6 t-80 -95.54 124.74 39.71 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.488 HD12 ' C ' ' A' 1537 ' ' HIS . 1.4 mp -108.53 148.41 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 -178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -148.57 142.38 25.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 177.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -68.35 0.88 3.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.02 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 24.4 p -126.11 -12.75 6.33 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.461 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -176.46 169.4 2.64 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 110.955 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 8.2 p90 -161.8 131.07 4.51 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -137.63 -172.53 3.25 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-O 121.206 0.527 . . . . 0.0 111.243 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . 0.616 ' CG ' ' CZ ' ' A' 1536 ' ' PHE . 1.9 p90 -167.45 164.29 14.97 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.285 -0.871 . . . . 0.0 110.49 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.65 118.01 31.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' 1547 ' ' LEU . 2.1 mp -87.51 -4.12 58.99 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.539 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 87.5 m -78.92 7.43 7.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.785 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 59.1 p -114.82 -17.48 11.56 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.705 0.288 . . . . 0.0 110.43 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 11.5 mt -89.37 167.46 13.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.614 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' 1552 ' ' LYS . 14.7 t70 -74.06 173.41 10.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.365 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . 0.512 ' N ' ' OD1' ' A' 1551 ' ' ASP . 0.0 OUTLIER -78.28 -15.23 58.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 -179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 20.4 p -62.63 -47.45 83.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.392 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 41.2 m -56.65 -44.45 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.519 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 50.8 t -58.85 -39.39 77.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -60.98 -41.96 97.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.609 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -64.16 -44.24 92.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 93.5 mt -54.4 -65.07 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.689 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -43.36 -41.6 4.2 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.31 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . 0.537 ' OG ' ' N ' ' A' 1561 ' ' TYR . 1.4 p -52.8 -62.48 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.537 ' N ' ' OG ' ' A' 1560 ' ' SER . 4.8 m-85 -60.08 -38.38 82.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.142 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 33.8 mt -58.95 -62.06 2.17 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.34 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . 0.421 ' CD ' ' N ' ' A' 1563 ' ' GLU . 1.4 mp0 -92.55 -96.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.99 0.424 . . . . 0.0 110.217 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.76 -69.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.16 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 42.0 t -170.29 -60.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' 1568 ' ' SER . . . 155.02 142.41 3.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 91.8 m 55.54 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.697 0.284 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' 1566 ' ' GLY . 72.9 m . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.448 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 55.4 p . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -52.27 -84.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.508 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 739' ' ' LEU . 36.4 mt -46.17 109.33 0.97 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.686 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -45.22 161.71 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.249 1.966 . . . . 0.0 112.34 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 17.8 tp 58.03 65.9 3.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.39 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -75.78 150.63 35.17 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.557 2.171 . . . . 0.0 111.954 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 743' ' ' LEU . 8.7 mp -58.52 -73.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.214 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -53.85 88.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.561 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 743' ' ' LEU . 46.7 m-20 -76.36 -90.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 10.7 m -165.93 115.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.438 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 749' ' ' LEU . 74.6 mttt -145.18 -76.68 0.21 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 748' ' ' LEU . 3.9 mm? 50.28 11.38 0.07 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.508 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 747' ' ' LYS . 5.4 tp -79.95 144.15 33.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . 0.477 ' N ' ' HD2' ' A' ' 751' ' ' PRO . 0.5 OUTLIER -169.44 -62.94 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.289 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 750' ' ' SER . 19.7 Cg_endo -58.15 -78.73 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.434 0 C-N-CA 122.641 2.227 . . . . 0.0 111.972 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 751' ' ' PRO . 58.3 tp 56.47 116.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.399 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 35.6 ptt-85 -152.97 19.22 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.529 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 53.84 102.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.577 ' N ' ' CD ' ' A' ' 756' ' ' PRO . 0.1 OUTLIER -84.52 -45.18 0.72 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.341 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 755' ' ' THR . 65.2 Cg_exo -49.28 108.37 0.19 Allowed 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 122.677 2.251 . . . . 0.0 112.148 -178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -47.65 156.49 1.16 Allowed 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 122.339 2.026 . . . . 0.0 112.197 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.78 144.24 76.8 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.819 2.346 . . . . 0.0 111.909 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -160.07 40.37 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.428 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 17.0 m -164.47 -173.2 2.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.0 mp -132.45 131.07 41.33 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.258 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 62.1 mtp -125.33 118.01 25.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.475 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.48 123.94 22.98 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.288 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -128.08 122.96 33.36 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 93.5 mt -106.61 118.63 54.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.947 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 6.1 m -37.23 113.21 0.24 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.577 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.1 OUTLIER -53.07 -40.67 64.21 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.078 -178.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -52.98 -54.95 27.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.016 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.68 41.46 1.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.536 ' O ' ' C ' ' A' ' 771' ' ' SER . 4.0 tt -118.03 138.15 52.4 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . 0.536 ' C ' ' O ' ' A' ' 770' ' ' LEU . 16.3 m -10.87 -94.84 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.235 0.96 . . . . 0.0 111.324 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 4.6 ptp85 -145.72 176.52 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.785 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 773' ' ' ILE . 1.8 mp -108.59 103.5 51.46 Favored Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.965 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' A' ' 773' ' ' ILE . 68.6 Cg_exo -47.49 -178.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.31 -1.491 0 C-N-CA 122.898 2.398 . . . . 0.0 112.109 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -82.99 154.33 67.37 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.463 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.06 134.28 39.02 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.454 2.103 . . . . 0.0 112.194 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -75.28 -92.73 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.512 2.142 . . . . 0.0 112.234 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 163.1 -110.9 0.45 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' 1001 ' ' MET . 18.3 pttm -174.07 56.5 0.19 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.493 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 779' ' ' LYS . 47.8 Cg_endo -69.21 11.6 0.33 Allowed 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.668 2.245 . . . . 0.0 111.947 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . 0.428 ' H ' ' C ' ' A' ' 779' ' ' LYS . 28.5 mtt 49.12 97.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.587 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -100.3 67.7 0.52 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 19.8 t -76.61 115.66 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.447 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -172.36 121.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.7 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -69.3 -29.22 67.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.616 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 63.18 119.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.327 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . 0.411 ' H ' HD12 ' A' 1494 ' ' ILE . 3.3 mp -103.84 63.25 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.526 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -52.84 162.48 0.6 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.499 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 18.1 m120 -74.06 151.3 40.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -126.12 66.23 0.55 Allowed Glycine 0 N--CA 1.466 0.678 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 65.5 mt-10 -73.56 -175.31 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.394 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 1.7 p -70.41 -88.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 93.2 m-20 50.47 54.35 11.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.659 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 34.4 mttm -88.11 26.1 1.45 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.402 ' O ' ' OD1' ' A' 1505 ' ' ASP . . . -169.88 -33.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . 0.615 ' CE1' ' NZ ' ' A' 1552 ' ' LYS . 44.5 t80 -52.96 -26.39 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.728 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 27.3 mt -53.93 -27.68 32.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.333 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1505 ' ' ASP . 22.3 p-10 -48.47 -41.35 29.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -61.86 -57.81 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.628 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 45.6 mt -49.34 -44.24 44.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.657 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 89.2 t -57.31 -56.29 15.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-O 121.363 0.601 . . . . 0.0 110.532 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -54.67 -43.65 72.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.523 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.74 -58.72 5.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.411 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -37.89 -41.64 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' 1515 ' ' MET . 15.2 mtp-105 -65.65 -72.18 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.095 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -39.95 -24.5 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.729 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' 1512 ' ' ARG . 44.9 mt -79.69 -36.65 37.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.534 ' N ' ' O ' ' A' 1512 ' ' ARG . 83.6 mmm -63.49 -60.23 3.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.953 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 82.2 p -79.91 50.07 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.69 154.41 39.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.811 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . 0.408 ' CG ' ' H ' ' A' 1519 ' ' GLU . 3.1 tpt180 -140.01 -127.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.408 ' H ' ' CG ' ' A' 1518 ' ' ARG . 41.7 mt-10 51.04 100.02 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.513 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' 1522 ' ' ILE . 17.2 mmm-85 -68.76 -165.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.345 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 15.7 t-80 73.73 -28.62 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' 1520 ' ' ARG . 90.6 mt -87.82 -40.0 13.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.342 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' 1523 ' ' LEU . 4.1 mm? -54.57 -42.27 70.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.882 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . 0.464 ' N ' ' OG ' ' A' ' 771' ' ' SER . 9.4 pt20 -64.42 -8.58 13.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.517 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -107.53 -5.18 17.73 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.986 179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 94.0 mt -103.84 -49.54 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.412 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 49.1 t -58.51 -47.35 88.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' 1528 ' ' ASN . 1.5 m-20 -63.97 -38.02 89.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.328 0.585 . . . . 0.0 110.503 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.31 -48.54 78.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.695 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.22 -30.31 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.966 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.19 -35.81 65.23 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.515 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 47.8 tp10 -65.89 -33.4 75.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.501 ' OG1' ' N ' ' A' 1534 ' ' GLY . 31.4 p -57.34 -115.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.651 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.501 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 164.3 3.7 0.04 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -120.54 59.48 0.91 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.87 0.367 . . . . 0.0 110.783 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' 1536 ' ' PHE . 5.4 p90 -144.25 133.82 23.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 45.9 m80 -92.5 132.85 36.47 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.991 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -110.42 144.43 18.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.276 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -151.99 141.11 21.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.786 178.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . 0.413 ' N ' HD22 ' A' 1540 ' ' ASN . 3.1 m120 -68.24 3.67 1.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . 0.402 ' H ' ' C ' ' A' 1539 ' ' THR . 22.8 p -133.04 -11.25 2.95 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.4 t -168.86 160.02 9.99 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.189 0.519 . . . . 0.0 110.629 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.63 127.99 4.98 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.2 p30 -137.03 -169.19 2.43 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.976 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 10.6 p90 -169.91 167.09 9.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.332 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -115.33 110.77 19.88 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.913 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.6 mt -78.0 -3.61 42.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . 0.507 ' SG ' ' O ' ' A' 1548 ' ' CYS . 42.9 t -77.58 0.08 24.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 33.7 t -123.98 -40.82 2.26 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 32.1 mt -60.46 141.41 56.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -40.97 150.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.605 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . 0.615 ' NZ ' ' CE1' ' A' 1503 ' ' TYR . 12.7 ttmm -71.55 -18.71 62.24 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.229 0.538 . . . . 0.0 110.682 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 18.3 p -62.65 -54.33 41.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.1 m -46.62 -41.44 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 44.3 t -61.54 -40.23 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -64.24 -37.05 86.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -65.69 -55.98 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.307 0.575 . . . . 0.0 110.082 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 86.0 mt -46.31 -60.74 2.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -45.51 -43.07 11.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . 0.585 ' OG ' ' CD1' ' A' 1561 ' ' TYR . 6.1 p -48.89 -66.32 0.42 Allowed 'General case' 0 C--O 1.231 0.082 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.154 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.585 ' CD1' ' OG ' ' A' 1560 ' ' SER . 0.9 OUTLIER -59.59 -34.52 72.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.274 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 1562 ' ' LEU . 0.2 OUTLIER -63.37 -37.07 85.84 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.826 -179.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.45 80.64 1.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.333 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 17.9 p -97.3 110.68 23.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' 1567 ' ' THR . 8.2 t -159.01 -72.16 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.604 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -78.91 26.01 2.48 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . 0.409 ' H ' ' C ' ' A' 1565 ' ' SER . 10.4 m -57.03 113.33 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.751 0.31 . . . . 0.0 110.583 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 51.4 p . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.524 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.219 -0.659 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 56.4 173.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.291 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . . . . . . . . . 38.1 mt -129.65 77.01 77.78 Favored Pre-proline 0 N--CA 1.464 0.246 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.215 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.6 -70.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.807 2.338 . . . . 0.0 111.959 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.561 ' H ' HD22 ' A' ' 741' ' ' LEU . 3.7 mm? 43.97 70.09 2.07 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.366 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -48.55 -73.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.734 2.289 . . . . 0.0 111.792 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . 0.621 ' H ' HD12 ' A' ' 743' ' ' LEU . 9.2 mp 39.28 38.86 0.38 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.915 0.388 . . . . 0.0 110.524 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 57.0 ttm-85 -44.44 -18.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 743' ' ' LEU . 15.4 p30 -45.35 168.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.441 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 3.8 m 60.71 147.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.543 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? 48.94 32.91 4.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.512 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 7.2 tp -82.35 134.14 35.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.378 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.586 ' N ' HD12 ' A' ' 749' ' ' LEU . 9.3 mp -71.26 157.87 37.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 91.6 p -171.38 75.74 0.52 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -48.82 -30.34 17.0 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 122.637 2.225 . . . . 0.0 112.062 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 752' ' ' LEU . 3.7 mm? -79.25 151.83 30.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.47 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -170.64 -51.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.533 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -110.03 -161.46 0.76 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.415 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.02 76.21 46.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.196 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . 0.474 ' N ' ' CD ' ' A' ' 757' ' ' PRO . 25.8 Cg_exo -51.22 -41.81 56.54 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 121.832 1.688 . . . . 0.0 112.32 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 756' ' ' PRO . 47.4 Cg_exo -56.34 158.8 14.44 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 121.746 1.631 . . . . 0.0 112.167 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.62 127.09 14.2 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 122.61 2.207 . . . . 0.0 111.535 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -147.67 137.75 22.91 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.863 0.363 . . . . 0.0 110.387 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 13.4 t 52.12 -169.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.287 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.75 134.84 41.4 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.728 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 40.2 mtt -128.11 119.97 26.42 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.55 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' 1544 ' ' ASP . 28.9 t -70.04 129.03 34.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . 0.479 ' C ' HD12 ' A' ' 765' ' ' ILE . 0.9 OUTLIER -130.19 123.71 30.87 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.926 0.393 . . . . 0.0 109.987 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 765' ' ' ILE . 1.8 mp -104.4 118.2 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.888 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 768' ' ' ASP . 1.6 m -37.15 109.74 0.1 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.301 0.572 . . . . 0.0 111.236 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.481 ' C ' HD12 ' A' ' 770' ' ' LEU . 1.1 tp -67.95 5.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 766' ' ' THR . 1.1 m-20 -76.71 -51.13 12.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.36 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 15.4 mt -120.06 23.08 11.19 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 770' ' ' LEU . 0.0 OUTLIER -73.82 148.94 41.98 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 179.343 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 770' ' ' LEU . 81.2 p -15.21 -89.89 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . 0.43 ' N ' ' OG ' ' A' ' 771' ' ' SER . 0.1 OUTLIER -153.13 165.29 36.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.705 177.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 774' ' ' PRO . 0.0 OUTLIER -105.14 105.75 53.01 Favored Pre-proline 0 CA--C 1.541 0.633 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.191 -179.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . 0.45 ' O ' ' O ' ' A' ' 773' ' ' ILE . 86.5 Cg_exo -44.57 176.29 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.479 0 C-N-CA 122.281 1.987 . . . . 0.0 112.252 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -59.27 138.63 88.54 Favored Pre-proline 0 CA--C 1.544 0.744 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.57 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . 0.447 ' N ' ' CD ' ' A' ' 777' ' ' PRO . 20.6 Cg_exo -51.53 -43.15 52.11 Favored 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 121.33 1.353 . . . . 0.0 113.119 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 776' ' ' PRO . 51.6 Cg_exo -54.22 -166.42 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.1 1.867 . . . . 0.0 112.224 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 79.32 166.45 31.98 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -159.33 152.75 18.79 Favored Pre-proline 0 CA--C 1.534 0.359 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.429 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.11 -162.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.531 2.154 . . . . 0.0 111.764 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 6.8 ptm -150.01 62.05 0.98 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.364 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 98.48 159.24 29.91 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 36.9 p -159.59 59.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.424 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -153.57 45.09 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 25.8 tptt -67.28 130.65 43.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . 0.624 ' CD ' ' H ' ' A' 1493 ' ' GLN . 0.1 OUTLIER -81.56 -168.34 1.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.259 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 16.2 tt -173.11 139.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.406 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -157.91 92.57 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.387 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 6.8 m120 -150.07 151.81 33.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 45.0 90.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -53.97 -52.48 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.68 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 26.0 p -149.75 58.71 0.99 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.672 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' 1500 ' ' ASP . 14.2 p-10 -170.32 50.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.531 ' O ' ' HB3' ' A' 1502 ' ' ALA . 17.6 mmmt -88.34 -86.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 71.11 -37.24 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' 1501 ' ' LYS . 39.4 t80 -46.07 -37.67 7.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 2.2 pp -50.02 -28.88 7.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.362 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1502 ' ' ALA . 1.3 m-20 -50.87 -36.08 36.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.392 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -65.66 -49.45 68.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.82 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 22.8 mt -56.78 -40.92 76.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.675 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 64.9 t -60.8 -50.4 80.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.594 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -59.77 -41.68 91.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.978 0.418 . . . . 0.0 110.41 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 12.6 tp -55.43 -53.1 60.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.268 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 27.9 t60 -40.44 -43.69 1.86 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.467 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -63.1 -68.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -43.19 -51.24 6.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.486 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.419 HD21 HD11 ' A' 1562 ' ' LEU . 13.8 mt -50.48 -36.79 35.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . . . . . . . . . 9.7 tpt -63.32 -70.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.497 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.5 m -47.67 -68.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' 1517 ' ' LEU . 4.1 mm? -60.7 150.52 32.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.267 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' 1519 ' ' GLU . 34.3 ptt-85 -169.33 37.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.608 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' 1518 ' ' ARG . 21.1 mt-10 -47.43 174.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.266 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' 1522 ' ' ILE . 19.2 mmt85 -101.6 173.46 6.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.632 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' 1520 ' ' ARG . 4.9 m-70 71.01 -13.79 0.49 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.687 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' 1520 ' ' ARG . 5.5 pt -97.51 -38.4 7.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.345 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 22.8 mt -54.24 -47.98 71.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.394 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . 0.601 ' CD ' ' H ' ' A' 1524 ' ' GLN . 0.0 OUTLIER -61.91 -15.36 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.717 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 24.4 mm100 -104.51 -0.77 27.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 59.1 mt -106.63 -44.88 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.258 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.8 t -69.06 -47.8 73.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 111.093 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 21.6 t30 -65.23 -46.39 80.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 6.8 tp -48.73 -41.28 31.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.817 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . 0.436 ' O ' ' OG1' ' A' 1533 ' ' THR . 1.4 mp -76.45 -32.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -52.7 -35.63 55.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.42 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.44 -32.55 73.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.508 ' OG1' ' N ' ' A' 1534 ' ' GLY . 32.5 p -58.57 -113.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.28 . . . . 0.0 110.726 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.508 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 163.62 2.91 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.91 59.88 0.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.927 0.394 . . . . 0.0 110.592 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.5 p90 -145.74 136.0 23.9 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.527 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 76.1 t60 -94.72 132.94 38.94 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.1 mm -109.82 143.48 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.865 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.448 ' O ' HD22 ' A' ' 767' ' ' LEU . 0.3 OUTLIER -151.5 147.02 26.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . 0.438 ' H ' ' ND2' ' A' 1540 ' ' ASN . 1.5 m-80 -72.94 5.38 3.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.622 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 63.6 p -138.14 -2.8 1.82 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 110.465 -0.198 . . . . 0.0 110.465 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1539 ' ' THR . 4.7 t -173.99 156.9 2.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.135 0.493 . . . . 0.0 110.306 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.04 128.37 5.49 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 2.2 p30 -137.55 -171.24 2.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.342 0.591 . . . . 0.0 110.899 179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 3.5 p90 -163.88 163.91 23.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.904 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' 1546 ' ' ASP . 1.6 m-20 -103.42 99.9 9.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.719 -178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 73.3 mt -71.0 -14.38 62.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.398 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 10.0 m -77.24 8.5 3.98 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.552 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 5.1 m -126.94 -45.77 1.57 Allowed 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.579 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 12.9 mt -58.77 142.31 50.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.543 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' 1551 ' ' ASP . 1.1 m-20 -48.98 159.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.268 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . 0.609 ' CD ' ' H ' ' A' 1552 ' ' LYS . 0.0 OUTLIER -73.64 -11.66 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.135 0.493 . . . . 0.0 110.35 -179.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 80.4 p -69.15 -50.79 44.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.0 m -53.73 -47.16 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.055 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 41.7 t -60.22 -34.18 56.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.014 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . 0.44 ' O ' ' OG ' ' A' 1560 ' ' SER . 0.0 OUTLIER -67.18 -35.65 80.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.3 -55.81 18.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.036 0.445 . . . . 0.0 110.833 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' 1558 ' ' LEU . 53.3 mt -49.2 -57.87 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.687 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -46.89 -42.88 18.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.352 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' 1556 ' ' ARG . 1.4 m -53.55 -68.01 0.21 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' 1561 ' ' TYR . 0.9 OUTLIER -52.27 -38.2 57.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 -179.379 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . 0.419 HD11 HD21 ' A' 1514 ' ' LEU . 6.5 mt -58.5 -20.6 47.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.394 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -97.83 63.78 1.7 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.367 . . . . 0.0 110.53 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 30.3 p 45.15 86.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 71.0 m -41.35 152.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.796 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -159.19 19.15 0.27 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 9.2 m -49.87 134.71 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.929 -1.034 . . . . 0.0 110.63 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.407 ' C ' ' N ' ' A' ' 739' ' ' LEU . 35.8 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 46.39 20.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.799 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . 0.612 ' N ' ' CD ' ' A' ' 740' ' ' PRO . 0.6 OUTLIER -81.11 -43.3 1.18 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.453 179.476 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 739' ' ' LEU . 31.6 Cg_exo -57.73 117.86 4.64 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.407 2.071 . . . . 0.0 111.751 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 6.2 tp -160.52 63.4 1.91 Allowed Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.596 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -72.94 -164.75 0.2 Allowed 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.642 2.228 . . . . 0.0 111.98 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . 0.408 ' H ' HD12 ' A' ' 743' ' ' LEU . 5.3 mp -78.67 153.42 31.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.487 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 28.1 ttt85 53.44 -133.3 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.211 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.41 -173.49 3.29 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.374 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -167.21 87.45 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 749' ' ' LEU . 0.0 OUTLIER -81.6 149.09 28.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.579 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.97 9.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 747' ' ' LYS . 14.1 mt 50.74 28.37 3.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . 0.635 ' N ' ' CD ' ' A' ' 751' ' ' PRO . 0.3 OUTLIER -75.39 -41.38 3.76 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.196 179.268 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 750' ' ' SER . 23.8 Cg_exo -62.79 112.41 1.63 Allowed 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 122.838 2.359 . . . . 0.0 112.082 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 752' ' ' LEU . 4.0 mm? -73.25 163.52 27.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.945 0.402 . . . . 0.0 110.725 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -67.85 125.91 27.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.265 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -168.42 104.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.497 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . 0.641 ' N ' ' CD ' ' A' ' 756' ' ' PRO . 0.2 OUTLIER -85.08 -41.22 0.65 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.449 179.167 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 755' ' ' THR . 38.5 Cg_exo -58.32 159.6 18.87 Favored 'Trans proline' 0 N--CA 1.493 1.488 0 C-N-CA 122.507 2.138 . . . . 0.0 112.023 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.18 161.46 45.76 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.341 2.028 . . . . 0.0 111.991 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.12 -11.0 29.28 Favored 'Trans proline' 0 N--CA 1.496 1.633 0 C-N-CA 122.761 2.307 . . . . 0.0 111.881 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -80.42 126.21 30.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.916 0.389 . . . . 0.0 110.533 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 83.1 p -157.12 -153.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.49 134.85 41.94 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.133 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 32.4 mtt -126.96 151.16 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.8 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 93.8 t -99.29 122.16 50.74 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.148 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . 0.588 ' N ' ' CD ' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -128.81 125.41 37.69 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.932 0.396 . . . . 0.0 110.159 179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 96.6 mt -105.93 115.09 46.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.963 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 12.5 m -46.79 114.1 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.438 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.534 ' C ' ' H ' ' A' ' 769' ' ' LEU . 0.7 OUTLIER -53.7 -31.41 47.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.673 -179.582 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -58.92 1.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 767' ' ' LEU . 44.3 mt -120.55 19.63 11.93 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.48 165.17 23.22 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 121.022 0.439 . . . . 0.0 110.087 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 28.7 t -113.62 -92.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.671 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' A' ' 772' ' ' ARG . 0.9 OUTLIER -65.59 146.89 54.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.768 -179.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 773' ' ' ILE . 0.0 OUTLIER -119.06 147.28 42.32 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.552 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.85 132.01 19.3 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.571 2.181 . . . . 0.0 112.344 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . 0.648 ' CD ' ' H ' ' A' ' 775' ' ' GLN . 2.5 mp0 -64.58 148.88 96.28 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.519 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.3 119.31 6.32 Favored 'Trans proline' 0 C--N 1.312 -1.366 0 C-N-CA 122.262 1.975 . . . . 0.0 112.066 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -77.28 -92.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.281 1.987 . . . . 0.0 111.948 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -175.73 -100.89 0.14 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -168.13 65.83 0.7 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 0.0 110.621 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.13 105.33 2.06 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.67 2.246 . . . . 0.0 112.141 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 7.2 tpt -83.09 148.95 27.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.103 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 102.41 124.98 5.53 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 66.1 m -164.96 -89.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.499 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -65.71 -157.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.403 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 93.5 mttt -147.7 -72.81 0.21 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.48 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -170.87 -37.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.475 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 63.2 mt 55.92 102.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.739 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 44.4 pttt -58.25 -167.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.45 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -50.61 170.02 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . -173.96 -105.88 0.19 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -65.68 174.28 2.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.712 0.291 . . . . 0.0 110.43 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' 1500 ' ' ASP . 15.4 p -87.63 -118.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.203 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . 0.45 ' N ' ' SG ' ' A' 1499 ' ' CYS . 15.0 p-10 -113.15 -123.9 0.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.371 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . . . . . . . . . 43.5 tttm -52.49 94.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.605 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . . . . . . . . . . . -169.61 -45.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.647 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -86.13 -25.06 25.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.628 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 9.1 mt -74.76 -54.03 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.506 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -51.48 -27.55 10.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.563 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.26 -59.43 3.74 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 58.0 mt -50.12 -37.66 35.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.542 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 76.4 t -57.78 -55.19 23.0 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -58.03 -40.92 82.07 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.83 -53.18 59.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.901 -178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -42.01 -44.2 3.44 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.505 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -66.97 0.45 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.128 -178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 31.7 ttm180 -44.19 -47.47 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.28 -37.68 65.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.963 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . . . . . . . . . 45.9 tpp -63.1 -53.73 48.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 3.7 m -86.12 52.76 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.061 0.457 . . . . 0.0 110.673 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 2.2 tp -162.99 151.74 14.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.006 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' 1520 ' ' ARG . 18.9 ptt180 -164.5 -52.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.534 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' 1520 ' ' ARG . 39.3 mm-40 59.52 -9.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -179.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.636 ' H ' ' C ' ' A' 1518 ' ' ARG . 8.6 tpt180 56.02 158.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.215 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 27.0 t60 73.16 -17.01 0.44 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.558 HG21 ' CE1' ' A' 1561 ' ' TYR . 4.0 mt -95.11 -31.19 4.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.467 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 19.1 mt -49.76 -36.8 27.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -70.09 -15.25 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.557 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . 0.636 ' O ' HD13 ' A' 1529 ' ' LEU . 69.0 mt-30 -96.79 -10.12 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.669 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 89.4 mt -98.87 -51.65 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.206 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.5 t -53.34 -44.52 54.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.991 0.424 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . 0.636 HD22 ' N ' ' A' 1528 ' ' ASN . 1.0 OUTLIER -63.46 -54.2 40.16 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' 1525 ' ' GLN . 5.2 mp -42.12 -48.85 4.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.582 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 38.9 mm -71.24 -31.22 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -54.33 -35.08 62.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.403 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' 1533 ' ' THR . 1.3 mp0 -67.93 -34.78 77.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.162 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.468 ' OG1' ' N ' ' A' 1534 ' ' GLY . 34.3 p -56.68 -116.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.468 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 175.65 -43.63 0.12 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 75.0 m80 -75.93 61.08 1.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -145.98 136.45 24.03 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.57 134.34 49.85 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 34.9 mm -106.93 141.68 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -144.99 143.34 30.46 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.753 178.703 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.58 3.54 3.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.701 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 68.3 p -132.0 -9.68 3.44 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.456 ' O ' ' CB ' ' A' 1539 ' ' THR . 3.6 t -172.35 161.15 5.15 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.041 0.448 . . . . 0.0 110.727 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . 0.43 ' CD1' ' C ' ' A' 1543 ' ' PHE . 0.0 OUTLIER -158.53 130.96 6.94 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -138.14 -171.17 2.96 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.177 179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.21 165.75 15.21 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.721 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.97 116.84 30.59 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.141 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.406 HD22 HG22 ' A' 1555 ' ' VAL . 8.6 mt -85.71 -4.13 59.08 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 16.5 p -81.61 8.76 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.528 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 32.6 p -128.88 -33.16 2.03 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.834 0.349 . . . . 0.0 110.67 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.46 138.7 43.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -42.64 156.55 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.466 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 14.7 pttp -74.21 -13.03 60.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.072 0.463 . . . . 0.0 110.715 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 66.4 p -70.09 -47.99 59.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.61 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 11.5 m -51.9 -44.68 63.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.225 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . 0.411 HG12 HE21 ' A' 1559 ' ' GLN . 11.6 t -68.03 -37.5 78.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -60.19 -43.43 95.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -64.12 -45.06 90.25 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.395 0.617 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 64.5 mt -54.68 -58.29 8.11 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.186 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . 0.411 HE21 HG12 ' A' 1555 ' ' VAL . 32.3 mt-30 -45.98 -40.27 10.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.11 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . 0.442 ' O ' ' OG1' ' A' 1564 ' ' THR . 3.6 t -52.09 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.829 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.578 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.1 OUTLIER -46.74 -36.63 7.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.595 -179.211 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' 1561 ' ' TYR . 4.6 mt -60.09 -50.2 74.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.202 -178.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -99.08 65.91 1.5 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.961 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' 1560 ' ' SER . 18.2 m -144.57 107.0 4.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.47 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 42.0 t -82.2 -110.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.29 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 90.21 -136.56 13.52 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 20.0 p -145.36 -15.02 0.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 110.518 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.488 179.786 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . 0.469 ' CG ' ' H ' ' A' ' 739' ' ' LEU . 14.0 tpp180 -70.61 -137.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.604 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . 0.469 ' H ' ' CG ' ' A' ' 738' ' ' ARG . 5.7 tp -166.17 71.87 1.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.474 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -47.96 137.16 22.71 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.609 2.206 . . . . 0.0 112.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 742' ' ' PRO . 0.8 OUTLIER -178.98 -43.54 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.475 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 741' ' ' LEU . 33.6 Cg_exo -58.98 -22.21 62.21 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.416 2.077 . . . . 0.0 112.12 -178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . 0.537 HD23 ' H ' ' A' ' 743' ' ' LEU . 0.1 OUTLIER -83.12 69.84 9.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.425 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -43.18 95.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.608 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 743' ' ' LEU . 30.5 m-20 -74.3 -80.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.301 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 61.9 p -109.42 74.84 0.92 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.261 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 749' ' ' LEU . 46.8 tttp -58.75 -15.7 13.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.45 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 748' ' ' LEU . 0.2 OUTLIER -60.36 77.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.171 0.51 . . . . 0.0 110.332 -179.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 747' ' ' LYS . 57.9 mt -142.49 -8.58 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.363 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . . . . . . . . . 6.2 t 52.63 76.59 0.52 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -46.06 -21.05 0.95 Allowed 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.652 2.234 . . . . 0.0 112.019 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . . . . . . . . . 5.5 tp -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.683 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 23.2 ttp180 57.63 160.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.333 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -54.41 -38.6 66.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 7.5 m 59.29 66.7 2.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.084 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.16 126.47 13.08 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 121.804 1.669 . . . . 0.0 111.65 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . 0.435 ' N ' ' HD2' ' A' ' 758' ' ' PRO . 30.9 Cg_exo -49.18 -46.2 26.71 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.787 1.658 . . . . 0.0 112.516 178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 757' ' ' PRO . 63.5 Cg_endo -74.63 81.48 2.1 Favored 'Trans proline' 0 N--CA 1.49 1.275 0 C-N-CA 121.402 1.401 . . . . 0.0 112.266 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . 0.413 ' O ' ' OG ' ' A' ' 760' ' ' SER . 18.2 mm100 -85.03 -58.07 2.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.407 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . 0.504 ' OG ' ' N ' ' A' ' 761' ' ' LEU . 24.0 p 59.06 -132.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.312 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . 0.504 ' N ' ' OG ' ' A' ' 760' ' ' SER . 5.2 mp -130.13 134.21 47.17 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 4.0 mmt -127.1 155.81 42.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.101 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . . . . . . . . . 26.2 t -101.26 120.12 50.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . 0.423 ' NZ ' ' CB ' ' A' ' 764' ' ' LYS . 5.3 ttpm? -129.44 125.91 37.55 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 16.4 mm -105.64 111.95 37.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.63 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 2.0 m -48.96 117.57 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.485 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.492 ' C ' ' H ' ' A' ' 769' ' ' LEU . 1.1 tp -51.26 -47.09 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.744 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 768' ' ' ASP . 0.8 OUTLIER -52.05 -8.89 0.08 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.526 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . 0.492 ' H ' ' C ' ' A' ' 767' ' ' LEU . 63.7 mt -120.91 33.72 5.47 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.978 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 771' ' ' SER . 2.2 tp -119.49 -46.56 2.48 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' A' ' 772' ' ' ARG . 2.6 p 84.41 -65.49 0.06 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.957 0.408 . . . . 0.0 111.06 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . 0.562 ' N ' ' OG ' ' A' ' 771' ' ' SER . 58.7 mtm180 -105.91 123.52 48.11 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.656 -179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 123.52 34.86 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.395 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -45.68 129.01 11.32 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.12 1.88 . . . . 0.0 112.451 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -60.34 151.69 67.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.502 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.36 111.18 0.79 Allowed 'Trans proline' 0 N--CA 1.498 1.745 0 C-N-CA 122.587 2.191 . . . . 0.0 112.118 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -49.29 -34.81 32.91 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.248 1.965 . . . . 0.0 112.659 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.11 73.34 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -154.53 78.49 5.08 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 120.733 0.301 . . . . 0.0 110.585 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -54.37 137.67 72.14 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.82 2.346 . . . . 0.0 111.997 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.58 -1.27 45.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.361 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . 63.69 144.59 0.02 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 14.9 m -72.74 141.44 48.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' 1491 ' ' ASP . 16.7 p-10 -164.55 -116.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.578 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . 0.427 ' H ' ' CG ' ' A' 1491 ' ' ASP . 31.6 tptt 59.54 117.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.576 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -78.54 143.71 36.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 14.9 tt -58.36 159.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.419 ' NZ ' ' CB ' ' A' 1495 ' ' LYS . 6.0 ttpm? -161.71 71.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.449 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -100.06 136.72 39.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.399 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 162.04 -74.71 0.19 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -80.34 122.56 27.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.321 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 11.2 m -78.86 165.95 22.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.407 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -80.25 19.61 0.74 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' 1502 ' ' ALA . 16.8 ptmt -45.95 138.15 5.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.538 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 71.39 -65.13 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.968 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.87 -51.0 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' 1505 ' ' ASP . 4.4 pp -41.13 -28.94 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.525 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . 0.649 ' N ' HD12 ' A' 1504 ' ' LEU . 48.5 t0 -51.87 -46.33 64.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . 0.402 ' CD ' ' N ' ' A' 1506 ' ' GLU . 3.6 mp0 -71.26 -56.97 4.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.794 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.37 -50.76 16.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.716 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 45.9 t -63.46 -42.99 98.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.478 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.512 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -62.39 -36.92 83.82 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.027 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' 1511 ' ' HIS . 3.9 mp -63.65 -55.02 26.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.291 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' 1510 ' ' LEU . 33.0 t60 -39.46 -44.29 1.36 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.331 0.586 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.454 ' C ' ' N ' ' A' 1514 ' ' LEU . 7.0 tpt180 -64.14 -70.63 0.21 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.63 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -45.7 -19.73 0.06 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.319 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' 1512 ' ' ARG . 1.3 mm? -77.08 -34.45 56.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' 1512 ' ' ARG . 24.8 mtp -67.66 -68.63 0.37 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . . . . . . . . . 10.1 t -39.6 -32.11 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.492 HD22 HD21 ' A' 1562 ' ' LEU . 2.7 tp -70.63 117.56 12.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -82.27 -11.48 58.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.696 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 60.93 152.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.636 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' 1522 ' ' ILE . 20.7 ttp-105 -169.74 113.3 0.5 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.375 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . . . . . . . . . 5.2 t60 68.85 -12.32 0.39 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.514 ' H ' ' C ' ' A' 1520 ' ' ARG . 13.1 pt -103.14 -26.32 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.146 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . 0.464 ' H ' HD23 ' A' 1523 ' ' LEU . 0.2 OUTLIER -48.4 -36.01 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.322 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -76.78 -13.79 59.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.528 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' 1522 ' ' ILE . 4.0 tp-100 -92.0 -19.28 22.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.71 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . . . . . . . . . 1.9 mp -89.51 -57.31 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 67.3 t -51.71 -40.85 27.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.654 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -64.0 -41.17 97.57 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.019 0.438 . . . . 0.0 110.417 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 7.8 tp -59.08 -25.87 64.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.817 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 29.8 mm -92.4 -34.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.186 0.517 . . . . 0.0 110.143 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -50.19 -40.26 46.57 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.351 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -62.47 -30.93 71.61 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.198 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . 0.5 ' OG1' ' N ' ' A' 1534 ' ' GLY . 43.0 p -60.35 -93.5 0.0 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.808 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.5 ' N ' ' OG1' ' A' 1533 ' ' THR . . . 144.95 7.63 0.42 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 12.2 m80 -121.94 59.59 0.99 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 13.1 p90 -142.51 133.15 25.29 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.116 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 63.8 m-70 -92.27 132.35 36.76 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.2 mm -109.97 144.71 17.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.1 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.464 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.2 OUTLIER -152.66 141.68 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . . . . . . . . . 14.9 p30 -68.2 3.1 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.725 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 38.3 p -133.4 -8.56 2.91 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' 1539 ' ' THR . 0.0 OUTLIER -170.84 161.52 7.22 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.025 0.441 . . . . 0.0 110.201 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . 0.428 ' O ' ' CD1' ' A' 1543 ' ' PHE . 0.0 OUTLIER -159.25 130.83 6.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.4 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . . . . . . . . . 1.8 p30 -136.4 -173.34 3.38 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 27.0 p90 -166.77 164.04 16.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.603 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' 1546 ' ' ASP . 19.0 p-10 -118.31 118.12 30.93 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.797 0.332 . . . . 0.0 111.507 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' 1547 ' ' LEU . 1.9 mp -85.77 -1.59 57.37 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.195 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 84.7 m -77.42 8.56 4.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.047 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . . . . . . . . . 9.4 p -130.01 -28.37 2.18 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.642 0.258 . . . . 0.0 110.651 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 16.1 mt -74.05 144.83 44.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.534 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -47.23 156.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.464 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . . . . . . . . . 47.9 mttm -66.37 -16.94 64.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 110.65 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 19.5 p -70.56 -45.82 64.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 9.8 m -51.46 -44.05 62.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.111 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 15.8 t -68.37 -37.8 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 58.4 ttp85 -60.82 -40.44 92.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -65.25 -46.78 79.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.421 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 8.9 mt -53.79 -63.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.497 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -45.53 -42.48 10.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.004 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 2.1 t -48.84 -70.92 0.08 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.059 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' 1561 ' ' TYR . 1.1 m-85 -53.8 -34.6 59.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.316 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . 0.492 HD21 HD22 ' A' 1517 ' ' LEU . 0.1 OUTLIER -63.62 -69.17 0.29 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.99 0.424 . . . . 0.0 110.49 -179.566 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -64.47 76.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.343 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' 1562 ' ' LEU . 74.7 p -134.01 118.01 17.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.177 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.3 t -136.32 136.74 39.97 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.372 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 89.4 -55.31 3.89 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 55.5 p -72.94 -0.53 13.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.0 110.687 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.588 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' A' ' 740' ' ' PRO . 63.4 mtp85 -76.34 118.53 19.14 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.064 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' LEU . . . . . 0.704 ' H ' ' CD2' ' A' ' 739' ' ' LEU . 4.1 mm? -21.48 86.52 0.04 OUTLIER Pre-proline 0 N--CA 1.469 0.489 0 O-C-N 124.004 0.815 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' PRO . . . . . 0.524 ' N ' ' O ' ' A' ' 738' ' ' ARG . 31.3 Cg_exo -57.62 66.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.413 0 C-N-CA 122.742 2.295 . . . . 0.0 112.119 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.649 ' H ' HD22 ' A' ' 741' ' ' LEU . 3.6 mm? 36.85 78.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.95 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.61 -19.08 4.55 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.534 2.156 . . . . 0.0 112.064 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' LEU . . . . . . . . . . . . . 14.6 mt -73.28 139.91 46.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 49.74 82.72 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -81.72 99.94 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 747' ' ' LYS . 0.0 OUTLIER -78.46 -96.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' LYS . . . . . 0.519 ' H ' HG23 ' A' ' 746' ' ' THR . 58.0 mmtt 59.78 131.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.605 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' LEU . . . . . . . . . . . . . 8.9 tp -64.97 133.22 51.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.401 ' O ' ' OG ' ' A' ' 750' ' ' SER . 11.1 mt -72.89 147.33 45.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.649 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 749' ' ' LEU . 45.1 p 48.51 67.99 3.96 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.516 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.27 -178.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.722 2.281 . . . . 0.0 112.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 752' ' ' LEU . 10.0 mp -75.75 -24.51 56.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.529 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -78.49 22.58 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.487 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 752' ' ' LEU . 60.2 t0 -51.87 -31.6 28.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.964 0.412 . . . . 0.0 110.498 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.37 158.64 86.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.429 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.72 112.72 1.35 Allowed 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 122.691 2.261 . . . . 0.0 111.738 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' PRO . . . . . 0.537 ' N ' ' CD ' ' A' ' 758' ' ' PRO . 36.2 Cg_exo -50.03 -44.51 37.14 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 122.622 2.215 . . . . 0.0 112.077 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 757' ' ' PRO . 38.8 Cg_exo -55.86 129.33 34.41 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 C-N-CA 122.526 2.151 . . . . 0.0 112.181 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.78 -78.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' SER . . . . . . . . . . . . . 3.4 m 60.14 -155.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.28 135.94 35.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.34 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' MET . . . . . . . . . . . . . 30.4 mtp -127.53 117.09 21.42 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.631 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' 1544 ' ' ASP . 88.6 t -73.98 122.5 27.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.248 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' LYS . . . . . 0.412 ' HZ3' ' HB2' ' A' ' 764' ' ' LYS . 0.0 OUTLIER -129.27 125.13 36.13 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.968 0.413 . . . . 0.0 110.437 179.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' ILE . . . . . . . . . . . . . 64.4 mt -105.16 116.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.439 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' THR . . . . . . . . . . . . . 1.3 m -44.44 142.49 1.57 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.063 0.458 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 767' ' ' LEU . 0.2 OUTLIER -63.35 -49.38 74.12 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 770' ' ' LEU . 4.6 m-20 -49.73 -36.76 26.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.539 -179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' LEU . . . . . . . . . . . . . 3.7 mt -67.48 3.34 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.739 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 768' ' ' ASP . 17.7 mt -131.14 164.72 24.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.387 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' SER . . . . . . . . . . . . . 33.0 t -112.92 -67.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.714 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -73.99 152.72 39.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.691 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ILE . . . . . 0.404 ' O ' ' OE1' ' A' ' 775' ' ' GLN . 4.6 mp -129.48 112.87 17.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.796 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.06 130.28 13.29 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.534 2.156 . . . . 0.0 112.232 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' GLN . . . . . 0.404 ' OE1' ' O ' ' A' ' 773' ' ' ILE . 3.8 mp0 -70.37 148.56 95.59 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.801 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -36.75 99.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 123.064 2.51 . . . . 0.0 112.002 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.52 -163.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.536 2.157 . . . . 0.0 111.936 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' GLY . . . . . . . . . . . . . . . -101.71 171.13 21.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -40.43 106.09 0.4 Allowed Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 115.907 -0.146 . . . . 0.0 110.854 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.09 176.83 9.51 Favored 'Trans proline' 0 C--N 1.311 -1.407 0 C-N-CA 122.63 2.22 . . . . 0.0 111.914 -179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' MET . . . . . . . . . . . . . 14.7 ptt? -156.66 169.82 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' GLY . . . . . . . . . . . . . . . -149.85 43.67 0.74 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 56.6 m -46.12 142.32 2.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.947 0.403 . . . . 0.0 110.554 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -53.06 -43.83 66.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.551 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' LYS . . . . . . . . . . . . . 37.1 mmtt 45.27 66.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.632 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' 1495 ' ' LYS . 0.6 OUTLIER -79.81 80.73 6.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.508 -179.475 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' ILE . . . . . . . . . . . . . 15.2 pt -100.67 -18.3 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.442 ' O ' ' OE1' ' A' 1493 ' ' GLN . 59.4 mmtt -62.7 142.55 58.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.797 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -168.36 -153.65 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' GLY . . . . . . . . . . . . . . . 59.18 155.5 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1498 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -81.15 73.31 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.56 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1499 ' ' CYS . . . . . . . . . . . . . 21.2 p -173.98 142.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.633 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1500 ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' 1501 ' ' LYS . 10.1 p-10 -164.79 -59.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.618 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1501 ' ' LYS . . . . . 0.583 ' O ' ' HB3' ' A' 1502 ' ' ALA . 81.8 mttt -52.4 -173.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.576 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1502 ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' 1501 ' ' LYS . . . 74.43 -66.56 0.29 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1503 ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.54 -33.08 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.596 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1504 ' ' LEU . . . . . . . . . . . . . 26.3 mt -58.47 -47.37 84.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.456 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1505 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.93 -29.6 4.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.041 0.448 . . . . 0.0 110.776 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1506 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -68.91 -56.72 6.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.516 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1507 ' ' LEU . . . . . . . . . . . . . 64.9 mt -50.61 -42.6 56.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' VAL . . . . . . . . . . . . . 39.1 t -62.65 -48.48 87.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.712 0 CA-C-O 121.136 0.493 . . . . 0.0 110.958 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.73 -28.75 66.13 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.676 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' 1511 ' ' HIS . 0.6 OUTLIER -67.5 -57.03 7.25 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 -179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' HIS . . . . . 0.422 ' C ' ' O ' ' A' 1510 ' ' LEU . 25.2 t-80 -35.89 -41.5 0.23 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.23 0.538 . . . . 0.0 110.42 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' ARG . . . . . 0.52 ' O ' ' N ' ' A' 1514 ' ' LEU . 27.1 ttp180 -66.65 -75.0 0.1 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.305 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' ARG . . . . . 0.415 ' O ' ' OG1' ' A' 1516 ' ' THR . 50.2 mtp85 -45.79 -13.89 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' 1512 ' ' ARG . 9.3 mt -84.8 -32.61 23.25 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.423 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' 1512 ' ' ARG . 21.9 ttm -66.68 -14.08 62.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.609 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' 1513 ' ' ARG . 33.4 p -79.87 -90.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.598 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' 1518 ' ' ARG . 0.2 OUTLIER 59.08 112.98 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.757 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' ARG . . . . . 0.554 ' N ' HD13 ' A' 1517 ' ' LEU . 66.3 mtt180 -131.73 49.83 2.29 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.748 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' GLU . . . . . 0.452 ' H ' ' CD1' ' A' 1517 ' ' LEU . 67.0 mm-40 -136.71 -158.32 0.86 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.348 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.402 ' C ' ' CG ' ' A' 1521 ' ' HIS . 0.0 OUTLIER -145.29 159.7 42.64 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' HIS . . . . . 0.402 ' CG ' ' C ' ' A' 1520 ' ' ARG . 1.9 m-70 71.12 -2.57 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' ILE . . . . . 0.586 HG21 ' CE1' ' A' 1561 ' ' TYR . 3.9 mt -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.606 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' LEU . . . . . . . . . . . . . 15.9 mt -51.82 -41.34 61.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.686 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.45 -46.0 61.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.325 0.39 . . . . 0.0 110.541 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -53.07 -38.75 62.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' 1526 ' ' ILE . 95.0 mt -63.71 -6.66 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.032 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 12.5 t -104.12 -44.32 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.896 0.379 . . . . 0.0 110.355 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -65.21 -39.68 93.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.64 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 5.9 mp -56.31 -40.25 74.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.606 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.23 -33.43 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.035 0.445 . . . . 0.0 110.568 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' GLU . . . . . . . . . . . . . 64.1 tt0 -58.68 -27.49 64.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.067 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -82.37 -34.19 28.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.788 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' THR . . . . . . . . . . . . . 72.7 p -76.64 -99.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.256 0.55 . . . . 0.0 111.107 -178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 157.32 170.13 21.87 Favored Glycine 0 C--O 1.224 -0.486 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 75.0 51.65 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 0.0 110.614 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' PHE . . . . . . . . . . . . . 14.0 p90 -141.49 133.31 27.33 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.597 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' HIS . . . . . . . . . . . . . 12.2 m170 -89.52 125.9 35.38 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.9 tp -108.31 146.85 13.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.174 -178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' 1542 ' ' THR . 0.3 OUTLIER -154.09 146.07 23.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.364 177.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' ASN . . . . . 0.507 HD22 ' N ' ' A' 1540 ' ' ASN . 0.9 OUTLIER -70.4 3.18 3.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.647 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' THR . . . . . . . . . . . . . 35.3 p -134.34 -10.79 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.148 0.28 . . . . 0.0 110.27 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . 0.467 ' O ' ' CB ' ' A' 1539 ' ' THR . 1.4 t -166.79 158.09 12.56 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.601 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.53 125.28 3.74 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 763' ' ' VAL . 1.2 p30 -134.9 -168.8 2.23 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' PHE . . . . . . . . . . . . . 4.3 p90 -170.72 167.8 7.61 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.413 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -120.17 99.23 6.47 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.836 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' 1547 ' ' LEU . 0.6 OUTLIER -67.89 -4.71 13.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.354 179.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' CYS . . . . . . . . . . . . . 71.9 m -67.81 8.55 0.37 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.6 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' SER . . . . . 0.489 ' H ' ' C ' ' A' 1547 ' ' LEU . 17.8 p -144.05 -37.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.719 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' LEU . . . . . . . . . . . . . 53.3 mt -50.74 139.17 17.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.592 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' 1552 ' ' LYS . 25.6 t0 -42.38 142.84 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.487 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' 1551 ' ' ASP . 30.5 mtmt -65.92 -21.15 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.596 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' THR . . . . . . . . . . . . . 28.9 p -65.6 -54.26 30.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.401 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' THR . . . . . . . . . . . . . 85.7 m -48.45 -49.16 36.48 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.002 0.43 . . . . 0.0 110.207 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' VAL . . . . . . . . . . . . . 27.5 t -58.85 -41.39 82.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.116 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -53.4 -43.19 67.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.404 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' LYS . . . . . . . . . . . . . 50.4 mttm -58.51 -46.73 86.12 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.204 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' LEU . . . . . . . . . . . . . 65.5 mt -49.49 -66.24 0.43 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.761 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -44.9 -48.04 11.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.509 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' SER . . . . . . . . . . . . . 4.0 t -42.08 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' TYR . . . . . 0.593 ' C ' ' CD1' ' A' 1561 ' ' TYR . 0.3 OUTLIER -54.13 -29.75 46.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.2 0.524 . . . . 0.0 111.236 -178.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -72.83 0.14 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.638 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -164.54 98.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.474 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' THR . . . . . . . . . . . . . 11.3 m -143.05 67.69 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.463 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 67.6 m -86.99 123.96 32.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -82.67 -91.32 0.64 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' THR . . . . . . . . . . . . . 19.5 p -84.55 152.14 24.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.492 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.542 -179.946 . . . . . . . . 0 0 . 1 stop_ save_