data_1pqs_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 1pqs _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 ' 779' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 5.9 pt-20 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.248 0.547 . . . . 3.25 111.336 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 7.4 tp -107.32 141.53 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.06 -0.973 . . . . 1.4399999999999999 110.71 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.552 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.9 t80 -130.37 145.87 51.86 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.964 -1.016 . . . . 0.59999999999999998 108.839 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.592 HG21 ' OD1' ' A' ' 850' ' ' ASN . 67.5 p -126.68 126.77 44.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.927 -0.398 . . . . 2.0600000000000001 109.927 -175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 17.7 tp -150.51 147.22 27.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.889 . . . . 1.4399999999999999 109.994 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.75 126.2 44.21 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.918 -0.489 . . . . 2.0699999999999998 109.932 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.662 HG12 ' HH2' ' A' ' 834' ' ' TRP . 17.1 m -72.4 87.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.627 -1.17 . . . . 1.8 113.195 -169.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -74.22 140.94 45.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.861 -0.609 . . . . 3.0600000000000001 110.786 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 22.8 pttp 46.74 32.02 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 2.3900000000000001 113.455 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.4 t 49.62 90.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.523 0.678 . . . . 1.75 112.585 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -68.62 140.28 55.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.56 -0.745 . . . . 1.24 112.889 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.71 42.32 1.01 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.839 -0.618 . . . . 2.4300000000000002 110.549 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.519 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.9 t80 69.69 -54.78 0.6 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.992 0.917 . . . . 0.60999999999999999 112.174 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.93 -41.53 96.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.221 0.534 . . . . 1.8600000000000001 109.729 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.69 -39.39 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.304 -0.862 . . . . 1.3600000000000001 110.092 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.1 tp -67.06 -45.8 76.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.017 -0.992 . . . . 1.0900000000000001 110.83 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.95 -49.04 86.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.823 0.344 . . . . 1.26 111.019 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -40.88 88.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 3.2200000000000002 110.96 178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.2 99.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.425 -0.352 . . . . 1.0900000000000001 110.923 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 794' ' ' LEU . 79.6 mt -57.21 -49.76 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.608 . . . . 1.3600000000000001 110.411 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.73 -37.94 87.77 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.005 -0.543 . . . . 1.21 111.038 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 49.7 m -54.09 -46.09 71.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.169 0.509 . . . . 1.8400000000000001 109.837 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.438 ' HG3' ' HZ ' ' A' ' 781' ' ' PHE . 46.0 mmtm -69.23 -56.49 7.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 2.5 112.07 175.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.637 -0.256 . . . . 1.5600000000000001 111.57 -176.019 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.9 Cg_exo . . . . . 0 CA--C 1.528 0.191 0 CA-C-O 120.675 0.198 . . . . 0.96999999999999997 112.388 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 813' ' ' ILE . 35.2 mm 68.1 -3.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.938 -0.573 . . . . 2.0600000000000001 110.889 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 812' ' ' PRO . 44.8 p 59.13 9.2 1.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.427 1.091 . . . . 2.4500000000000002 111.59 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.0 mmpt? -103.79 43.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 2.9399999999999999 109.972 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.796 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -70.91 134.26 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.867 0.842 . . . . 1.7 111.366 -176.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.904 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 31.6 tttp -127.26 139.69 52.74 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.163 -1.421 . . . . 1.96 107.163 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.679 ' CZ ' HG13 ' A' ' 826' ' ' VAL . 14.3 p90 -127.61 145.76 50.77 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.817 0.818 . . . . 0.94999999999999996 111.697 -170.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.898 ' HG2' HD21 ' A' ' 850' ' ' ASN . 2.9 tt0 -128.39 144.22 51.11 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.421 -1.263 . . . . 1.3100000000000001 109.42 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.5 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.4 p30 -126.61 141.04 51.98 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.04 -0.527 . . . . 1.73 109.995 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 59.4 18.43 6.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.286 -0.87 . . . . 3.3799999999999999 110.165 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.7 t0 53.71 38.69 28.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.325 -0.852 . . . . 5.6299999999999999 110.972 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.23 -29.05 0.2 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.805 -1.188 . . . . 1.3899999999999999 114.424 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 11.1 t70 -127.63 145.41 50.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.747 0.774 . . . . 1.47 110.223 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -125.71 128.96 48.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.594 0.712 . . . . 1.54 111.328 -172.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.679 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.6 OUTLIER -150.14 148.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.381 -1.281 . . . . 2.0 108.855 -173.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.904 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 8.4 p -123.87 141.63 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 121.518 -0.739 . . . . 1.8400000000000001 110.547 -169.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 4.6 pp -129.74 172.59 11.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.473 -0.785 . . . . 1.72 111.14 -171.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.04 -48.89 0.03 OUTLIER Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.914 -0.875 . . . . 1.2 110.914 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -83.09 144.57 29.79 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.221 -0.659 . . . . 2.0899999999999999 109.221 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.62 65.94 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.356 0.598 . . . . 1.79 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -149.09 -47.35 0.14 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.031 -0.729 . . . . 2.9300000000000002 109.031 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.421 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 31.6 m-20 -62.94 -37.14 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.606 -0.725 . . . . 2.1400000000000001 109.205 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.662 ' HH2' HG12 ' A' ' 785' ' ' VAL . 26.2 t-105 -65.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.123 -0.944 . . . . 0.28999999999999998 110.759 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.07 -46.09 90.73 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.631 -0.507 . . . . 2.6699999999999999 109.631 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.64 -45.69 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.369 -0.832 . . . . 2.0499999999999998 110.636 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.91 -50.22 73.07 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 111.884 0.327 . . . . 1.04 111.884 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.542 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 51.6 mtmt -57.87 -45.44 86.32 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 121.148 -0.221 . . . . 1.8700000000000001 110.836 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.47 -42.21 98.42 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.041 0.448 . . . . 2.2200000000000002 110.344 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.5 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 38.6 ttp -57.8 -55.68 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.34 -0.845 . . . . 1.0600000000000001 110.379 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.3 mt -54.46 -49.49 69.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.255 -0.43 . . . . 1.3 111.348 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.69 71.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.206 0.447 . . . . 1.1499999999999999 112.206 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -68.58 -46.2 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 2.9199999999999999 110.865 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.4 m120 -64.59 -35.3 80.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 1.6000000000000001 110.428 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 96.2 -12.53 0.09 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.216 . . . . 1.8999999999999999 109.788 -175.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -71.54 152.92 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.318 -0.855 . . . . 2.9700000000000002 110.364 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -142.47 -17.02 0.72 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.283 -0.417 . . . . 2.8599999999999999 110.617 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -61.89 124.8 21.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.74 -0.467 . . . . 0.65000000000000002 109.74 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.484 HD11 ' HD2' ' A' ' 818' ' ' TYR . 16.0 tp -128.42 144.22 51.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.349 0.595 . . . . 1.29 109.413 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.898 HD21 ' HG2' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.13 145.41 51.02 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.274 -1.009 . . . . 0.95999999999999996 108.274 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.674 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -126.93 124.43 64.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.212 -0.662 . . . . 1.1000000000000001 109.212 -175.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.4 ttm180 -106.71 137.98 43.73 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 116.274 -0.421 . . . . 2.77 110.6 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 852' ' ' ARG . 12.7 mt -119.65 138.1 53.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 107.712 -1.218 . . . . 2.1299999999999999 107.712 167.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--N 1.312 -1.035 0 CA-C-O 118.231 -0.89 . . . . 1.77 110.943 -165.64 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 6.0 pt-20 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.221 0.534 . . . . 3.25 109.852 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.742 HD11 ' HB3' ' A' ' 850' ' ' ASN . 6.6 tp -91.0 139.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.624 -0.716 . . . . 1.4399999999999999 109.576 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.615 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.8 t80 -127.57 145.25 50.93 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.818 -0.808 . . . . 0.59999999999999998 108.818 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.1 m -127.29 128.86 46.65 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.838 -0.43 . . . . 2.0600000000000001 109.838 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.6 tp -149.98 147.64 28.1 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.638 -1.165 . . . . 1.4399999999999999 109.376 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.46 121.94 35.22 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.359 -0.608 . . . . 2.0699999999999998 109.359 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.687 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.5 t -71.35 123.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.055 -1.43 . . . . 1.8 112.037 -167.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -80.2 -115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.048 -0.978 . . . . 3.0600000000000001 111.138 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.694 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -76.53 54.71 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 2.3900000000000001 111.821 -177.644 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.554 ' CG1' ' HD2' ' A' ' 838' ' ' LYS . 88.9 t 71.38 -50.61 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 123.024 0.53 . . . . 1.75 112.003 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.687 ' CE3' HG13 ' A' ' 785' ' ' VAL . 51.5 m0 71.08 124.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.271 0.628 . . . . 1.24 111.507 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -83.92 47.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.978 -0.451 . . . . 2.4300000000000002 110.8 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 25.5 t80 69.65 -47.48 0.6 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.094 0.958 . . . . 0.60999999999999999 112.274 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 796' ' ' MET . 54.1 m-20 -60.84 -40.09 91.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.663 0.268 . . . . 1.8600000000000001 110.628 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -61.91 -41.26 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.314 0.578 . . . . 1.3600000000000001 110.236 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.4 tp -62.42 -43.86 97.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.872 -1.058 . . . . 1.0900000000000001 110.198 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.28 -42.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 1.26 110.849 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.1 mtp -59.46 -44.8 92.9 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 3.2200000000000002 111.133 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.63 96.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.052 0.453 . . . . 1.0900000000000001 110.359 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 794' ' ' LEU . 77.4 mt -60.23 -47.48 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.423 -0.808 . . . . 1.3600000000000001 110.689 176.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.82 -43.29 98.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 1.21 111.367 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 13.4 t -67.38 -50.43 59.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.105 -0.498 . . . . 1.8400000000000001 110.874 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -68.93 -51.04 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.657 0.614 . . . . 2.5 112.657 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.631 0.253 . . . . 1.5600000000000001 110.472 179.499 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.0 Cg_exo . . . . . 0 N--CA 1.463 -0.267 0 CA-C-O 120.656 0.19 . . . . 0.96999999999999997 111.984 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 70.83 -16.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.512 0.725 . . . . 2.0600000000000001 110.985 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.537 ' H ' ' C ' ' A' ' 812' ' ' PRO . 0.0 OUTLIER 58.29 11.52 1.63 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.271 1.029 . . . . 2.4500000000000002 111.72 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.5 mmpt? -106.41 37.74 2.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.793 -0.817 . . . . 2.9399999999999999 108.793 173.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.631 HG12 HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -72.05 152.22 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.885 -1.052 . . . . 1.7 111.527 -173.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.8 mttt -126.55 146.06 50.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.712 -1.585 . . . . 1.96 107.478 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.629 ' CZ ' HG12 ' A' ' 826' ' ' VAL . 7.3 p90 -126.25 143.85 51.0 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.654 0.74 . . . . 0.94999999999999996 109.734 -175.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.896 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.2 tt0 -128.47 141.05 51.51 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.038 -1.437 . . . . 1.3100000000000001 109.057 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -126.41 139.88 52.92 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.914 -0.585 . . . . 1.73 110.012 -171.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 56.21 19.92 4.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.615 -1.175 . . . . 3.3799999999999999 110.72 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.413 ' HA ' HE21 ' A' ' 819' ' ' GLN . 27.1 t70 54.29 44.25 29.3 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.217 -0.901 . . . . 5.6299999999999999 110.878 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -147.31 -27.09 0.08 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 119.882 -1.151 . . . . 1.3899999999999999 114.401 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 1.8 m-20 -127.23 145.88 50.61 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 117.627 0.713 . . . . 1.47 110.506 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.36 128.94 47.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.577 0.703 . . . . 1.54 110.943 -172.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.629 HG12 ' CZ ' ' A' ' 818' ' ' TYR . 0.2 OUTLIER -150.3 148.98 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.455 -1.248 . . . . 2.0 109.009 -172.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.833 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 7.4 p -123.31 138.65 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 121.445 -0.784 . . . . 1.8400000000000001 110.996 -169.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.631 HD12 HG12 ' A' ' 816' ' ' ILE . 0.0 OUTLIER -133.61 168.88 17.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.173 -0.921 . . . . 1.72 110.837 -173.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -172.03 -35.37 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.797 -0.716 . . . . 1.2 111.93 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.0 p -79.04 -74.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.572 0.225 . . . . 2.0899999999999999 111.244 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t70 179.64 -45.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.069 -0.514 . . . . 1.79 110.552 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 832' ' ' GLU . 5.3 mp0 -52.63 -45.85 66.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.363 -0.835 . . . . 2.9300000000000002 111.94 -174.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.526 ' O ' HG11 ' A' ' 836' ' ' VAL . 56.8 m-20 -66.25 -37.73 86.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.444 . . . . 2.1400000000000001 111.169 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 18.5 t-105 -67.83 -40.46 83.77 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.549 -0.46 . . . . 0.28999999999999998 109.783 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.499 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.3 t30 -58.69 -47.27 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 2.6699999999999999 111.188 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.526 HG11 ' O ' ' A' ' 833' ' ' ASP . 7.4 p -65.24 -36.56 78.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 120.817 -0.353 . . . . 2.0499999999999998 110.576 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.565 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.1 -51.66 68.68 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.562 0.22 . . . . 1.04 111.245 176.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 49.0 mtmt -56.68 -47.81 79.04 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.253 -0.431 . . . . 1.8700000000000001 110.708 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.42 -44.68 95.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.671 -0.695 . . . . 2.2200000000000002 110.708 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 36.9 ttp -53.55 -50.64 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.716 -0.675 . . . . 1.0600000000000001 111.182 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 24.7 mt -59.68 -57.25 13.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 1.3 110.974 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.95 82.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.817 -0.629 . . . . 1.1499999999999999 112.236 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -65.44 -52.11 55.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.517 . . . . 2.9199999999999999 111.313 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.0 m-80 -68.78 -58.6 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.061 -0.255 . . . . 1.6000000000000001 111.28 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 19.4 p30 158.42 -30.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.955 0.785 . . . . 1.8999999999999999 110.784 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.13 -178.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.924 1.083 . . . . 2.9700000000000002 113.924 -169.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -164.43 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.649 -1.614 . . . . 2.8599999999999999 109.932 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.22 123.72 17.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.632 -0.507 . . . . 0.65000000000000002 109.632 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 819' ' ' GLN . 17.2 tp -130.75 142.94 50.43 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.58 0.705 . . . . 1.29 109.806 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.896 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.3 m-80 -128.29 146.03 50.88 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.864 -1.162 . . . . 0.95999999999999996 107.864 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.622 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.9 OUTLIER -125.96 124.74 66.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.981 -0.748 . . . . 1.1000000000000001 108.981 -173.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.914 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.2 ttt85 -95.97 122.46 38.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.594 -0.73 . . . . 2.77 110.44 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.611 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 6.4 mp -114.38 63.58 0.66 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.959 -1.126 . . . . 2.1299999999999999 107.959 169.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.833 ' HE2' ' HE3' ' A' ' 817' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.657 0 CA-C-N 113.396 -1.729 . . . . 1.77 111.899 -175.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.549 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 83.8 mt-10 . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 122.294 1.045 . . . . 3.25 109.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' ' 779' ' ' GLU . 0.4 OUTLIER 170.04 128.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 112.592 -2.095 . . . . 1.4399999999999999 108.904 176.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -149.59 146.67 27.44 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.115 -1.069 . . . . 0.59999999999999998 108.115 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.7 t -126.3 132.87 51.56 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.385 0.612 . . . . 2.0600000000000001 110.641 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.1 tp -150.14 148.18 28.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 113.932 -1.485 . . . . 1.4399999999999999 109.065 -169.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.508 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 8.3 tp -125.02 118.63 26.64 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.21 -0.663 . . . . 2.0699999999999998 109.21 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.643 HG11 ' HH2' ' A' ' 834' ' ' TRP . 24.8 m -64.8 132.82 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.013 -0.994 . . . . 1.8 111.408 -172.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -94.54 -116.64 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.4 -0.818 . . . . 3.0600000000000001 110.81 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 0.1 OUTLIER -73.6 42.77 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.439 0.533 . . . . 2.3900000000000001 112.439 -176.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.25 81.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.562 0.696 . . . . 1.75 110.953 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 26.6 m0 -63.96 138.0 58.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.151 -0.931 . . . . 1.24 112.479 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 41.37 0.86 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.052 -0.522 . . . . 2.4300000000000002 110.68 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.8 t80 68.96 -51.87 0.58 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.658 0.783 . . . . 0.60999999999999999 111.933 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.47 -43.16 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 1.8600000000000001 109.965 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.08 -41.49 98.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 1.3600000000000001 110.186 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -64.01 -42.73 97.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.085 -0.962 . . . . 1.0900000000000001 110.499 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 791' ' ' PHE . 28.3 mm -61.54 -51.03 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.458 -0.337 . . . . 1.26 111.668 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.0 ptm -62.64 -36.62 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.138 -0.225 . . . . 3.2200000000000002 110.405 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 801' ' ' LYS . . . -62.38 -51.25 68.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0900000000000001 110.454 175.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.639 HD11 HG22 ' A' ' 851' ' ' ILE . 94.0 mt -53.85 -50.67 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.196 0.522 . . . . 1.3600000000000001 110.879 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.473 HD21 ' HA ' ' A' ' 799' ' ' ASN . 1.8 m120 -58.17 -51.24 70.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.356 -0.838 . . . . 1.21 111.941 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 29.7 t -65.43 -39.25 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.275 -0.42 . . . . 1.8400000000000001 111.387 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 797' ' ' ALA . 29.0 mmmt -68.05 -42.26 80.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.341 -0.224 . . . . 2.5 111.151 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.427 HD13 HG23 ' A' ' 798' ' ' ILE . 59.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.661 0.267 . . . . 1.5600000000000001 111.409 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 814' ' ' THR . 1.6 Cg_endo . . . . . 0 N--CA 1.459 -0.534 0 CA-C-O 120.714 0.214 . . . . 0.96999999999999997 111.686 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 815' ' ' LYS . 35.6 mm 73.21 -14.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.78 -0.646 . . . . 2.0600000000000001 111.591 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 812' ' ' PRO . 27.8 p 70.46 -29.63 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 2.4500000000000002 111.707 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.5 OUTLIER -75.58 67.35 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.792 -0.448 . . . . 2.9399999999999999 109.792 173.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.535 HD13 HD12 ' A' ' 828' ' ' LEU . 17.9 pt -99.65 139.67 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 122.212 1.006 . . . . 1.7 111.845 -174.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 79.8 mttt -127.8 146.65 50.53 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.722 -1.581 . . . . 1.96 108.294 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.5 p90 -126.74 145.14 50.71 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.331 0.586 . . . . 0.94999999999999996 109.849 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.891 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 7.0 tt0 -128.15 143.19 51.03 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.951 -1.022 . . . . 1.3100000000000001 109.313 -176.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.71 144.46 50.92 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.247 -0.649 . . . . 1.73 109.247 -176.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.479 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 84.9 mt-10 62.94 9.14 3.54 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.25 -0.886 . . . . 3.3799999999999999 112.073 -175.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.1 t0 57.58 50.59 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 5.6299999999999999 110.131 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -158.71 -24.94 0.03 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.226 -0.988 . . . . 1.3899999999999999 114.088 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 35.8 t70 -127.8 145.4 50.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.427 0.614 . . . . 1.47 110.325 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -125.28 131.84 53.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.707 0.765 . . . . 1.54 110.996 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.552 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 23.9 t -137.79 149.21 25.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.304 -1.316 . . . . 2.0 108.329 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.639 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 11.9 p -123.4 133.77 68.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.238 -0.653 . . . . 1.8400000000000001 109.238 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 816' ' ' ILE . 3.1 pp -128.51 156.79 42.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.347 -0.842 . . . . 1.72 111.535 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -171.59 -30.01 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 1.2 112.054 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.6 m -82.34 14.52 2.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.771 -0.252 . . . . 2.0899999999999999 111.451 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.01 -45.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.759 0.824 . . . . 1.79 112.385 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.695 ' HA ' HD21 ' A' ' 835' ' ' ASN . 39.3 mm-40 -57.98 -36.07 72.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 2.9300000000000002 111.081 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.5 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 1.6 m-20 -56.18 -40.32 73.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.918 -0.583 . . . . 2.1400000000000001 110.669 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.643 ' HH2' HG11 ' A' ' 785' ' ' VAL . 33.1 t-105 -64.96 -41.78 95.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.28999999999999998 110.654 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.695 HD21 ' HA ' ' A' ' 832' ' ' GLU . 76.3 m-20 -58.6 -41.68 86.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.263 -0.426 . . . . 2.6699999999999999 110.072 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.18 -45.05 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.708 . . . . 2.0499999999999998 110.664 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.85 -47.22 87.34 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.66 0.244 . . . . 1.04 111.66 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.439 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 7.4 mtmp? -57.76 -50.38 73.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.083 0.468 . . . . 1.8700000000000001 110.723 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -41.19 98.3 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.368 -0.833 . . . . 2.2200000000000002 110.152 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 38.2 ttp -52.33 -51.08 60.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.069 -0.514 . . . . 1.0600000000000001 110.575 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 25.8 mt -59.7 -57.49 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 1.3 110.96 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.96 76.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.697 -0.683 . . . . 1.1499999999999999 112.621 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -50.09 65.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 2.9199999999999999 111.197 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.7 m120 -68.69 -59.18 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 1.6000000000000001 110.987 -176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 20.7 p30 152.34 -26.5 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.053 0.941 . . . . 1.8999999999999999 110.026 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.479 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 13.7 tp10 -67.41 168.98 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.791 . . . . 2.9700000000000002 111.728 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.508 ' HG2' ' HG ' ' A' ' 784' ' ' LEU . 36.6 ttmt -154.65 -22.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.957 -0.565 . . . . 2.8599999999999999 110.96 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.55 124.32 19.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.261 -0.274 . . . . 0.65000000000000002 110.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 849' ' ' LEU . 18.9 tp -128.9 145.34 51.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.598 . . . . 1.29 110.606 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.891 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.6 m-80 -133.76 145.27 49.65 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.942 -0.762 . . . . 0.95999999999999996 108.942 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.682 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -128.17 129.99 69.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.634 0.254 . . . . 1.1000000000000001 110.764 -176.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.549 ' HE ' ' HB3' ' A' ' 779' ' ' GLU . 74.8 ttt180 -112.68 118.75 35.9 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.853 -0.339 . . . . 2.77 111.035 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.499 HD21 ' O ' ' A' ' 853' ' ' LEU . 0.0 OUTLIER -111.99 133.82 53.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.019 -1.104 . . . . 2.1299999999999999 108.019 168.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.419 ' CE2' ' HE3' ' A' ' 817' ' ' LYS . 32.2 p90 . . . . . 0 C--N 1.314 -0.973 0 CA-C-O 118.378 -0.82 . . . . 1.77 110.907 -165.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 1.6 pm0 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 121.371 0.605 . . . . 3.25 110.15 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -100.08 138.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.929 -1.032 . . . . 1.4399999999999999 109.484 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.457 ' HD2' HG13 ' A' ' 851' ' ' ILE . 12.2 t80 -128.15 145.32 51.06 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.243 -0.651 . . . . 0.59999999999999998 109.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 848' ' ' PHE . 95.7 m -127.06 131.44 50.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.408 -0.59 . . . . 2.0600000000000001 109.408 -176.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.64 146.28 27.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.043 -0.98 . . . . 1.4399999999999999 109.975 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 848' ' ' PHE . 0.8 OUTLIER -126.92 118.68 25.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.23 -0.656 . . . . 2.0699999999999998 109.23 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.492 HG13 ' HH2' ' A' ' 834' ' ' TRP . 10.8 m -68.16 129.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 1.8 111.033 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' A' ' 787' ' ' LYS . 27.1 tp10 -95.45 -108.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.791 -0.64 . . . . 3.0600000000000001 111.109 -173.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER -76.12 47.43 0.45 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.176 0.436 . . . . 2.3900000000000001 112.176 -175.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 22.5 t 57.56 70.27 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.327 0.584 . . . . 1.75 110.781 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -55.79 134.64 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 1.24 111.563 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -94.82 48.47 1.2 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 2.4300000000000002 110.65 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.434 ' O ' HG12 ' A' ' 795' ' ' ILE . 18.9 t80 71.18 -53.27 0.68 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.682 0.793 . . . . 0.60999999999999999 111.578 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.79 -42.04 96.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 1.8600000000000001 110.171 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' A' ' 796' ' ' MET . 43.5 m-20 -63.93 -41.91 97.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.59 0.709 . . . . 1.3600000000000001 110.674 176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.474 ' O ' HG13 ' A' ' 798' ' ' ILE . 2.6 tp -63.69 -40.73 97.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 110.078 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 791' ' ' PHE . 34.5 mm -64.91 -45.87 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 1.26 111.543 177.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 25.5 ptm -61.91 -36.91 82.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.982 -0.287 . . . . 3.2200000000000002 110.546 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.51 88.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.009 0.433 . . . . 1.0900000000000001 110.353 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 794' ' ' LEU . 78.2 mt -59.2 -46.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.665 -0.698 . . . . 1.3600000000000001 110.678 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -59.32 -47.99 83.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 1.21 111.828 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.3 p -68.41 -47.75 66.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.758 0.313 . . . . 1.8400000000000001 111.495 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.87 -45.25 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.778 0.658 . . . . 2.5 112.778 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.308 . . . . 1.5600000000000001 110.476 178.209 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.453 ' C ' ' H ' ' A' ' 814' ' ' THR . 8.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.965 0.319 . . . . 0.96999999999999997 111.659 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 813' ' ' ILE . 22.2 mm 71.4 -10.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.48 -0.782 . . . . 2.0600000000000001 110.847 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.493 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 52.3 p 59.96 11.42 2.61 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.409 1.084 . . . . 2.4500000000000002 111.244 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.7 mmpt? -111.95 47.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 2.9399999999999999 109.603 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 34.2 pt -84.52 141.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.742 0.782 . . . . 1.7 111.115 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -126.71 143.79 51.13 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.958 -1.497 . . . . 1.96 106.958 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 826' ' ' VAL . 12.0 p90 -126.54 147.45 49.86 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.338 0.59 . . . . 0.94999999999999996 110.406 -164.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.99 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.8 tt0 -126.3 144.85 50.65 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.525 -1.216 . . . . 1.3100000000000001 108.867 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 0.2 OUTLIER -126.55 148.12 49.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.269 -0.878 . . . . 1.73 109.601 -170.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -32.58 -36.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.058 1.743 . . . . 3.3799999999999999 113.675 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.18 -31.47 71.21 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.219 0.533 . . . . 5.6299999999999999 111.272 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 105.75 48.75 1.0 Allowed Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.876 -0.889 . . . . 1.3899999999999999 110.876 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 36.9 t70 -134.89 149.4 50.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.293 -0.453 . . . . 1.47 111.11 -171.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -123.59 129.4 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 122.034 0.921 . . . . 1.54 110.911 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 75.1 t -141.34 148.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 113.863 -1.517 . . . . 2.0 107.91 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.15 135.49 62.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 118.323 0.51 . . . . 1.8400000000000001 109.665 -172.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 4.4 pp -128.86 156.85 43.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.03 -0.986 . . . . 1.72 111.866 -166.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 171.56 32.28 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.258 -0.883 . . . . 1.2 112.043 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -154.92 27.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.723 0.262 . . . . 2.0899999999999999 110.917 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.63 -54.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.43 0.692 . . . . 1.79 112.775 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -56.87 -44.46 82.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.927 0.491 . . . . 2.9300000000000002 110.62 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -47.37 76.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.79 . . . . 2.1400000000000001 111.037 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.492 ' HH2' HG13 ' A' ' 785' ' ' VAL . 31.8 t-105 -63.19 -39.57 95.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 0.28999999999999998 110.944 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.49 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 49.2 t30 -59.49 -40.69 87.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.984 -0.287 . . . . 2.6699999999999999 110.319 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.18 -45.52 95.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 2.0499999999999998 110.43 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.13 -48.86 77.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.675 0.274 . . . . 1.04 111.117 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 9.2 mtmp? -58.84 -49.94 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 1.8700000000000001 110.972 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.06 -44.2 91.79 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.024 -0.534 . . . . 2.2200000000000002 110.289 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 36.2 ttp -52.51 -54.02 38.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 1.0600000000000001 111.164 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.992 ' HA ' ' HG2' ' A' ' 846' ' ' GLU . 25.1 mt -58.94 -57.78 11.54 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.306 0.574 . . . . 1.3 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.25 84.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.554 -0.748 . . . . 1.1499999999999999 112.628 -173.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.39 -52.04 37.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.975 -0.29 . . . . 2.9199999999999999 111.482 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 75.6 m-80 -69.5 -58.23 4.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.178 -0.609 . . . . 1.6000000000000001 111.453 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 16.8 p30 158.73 -27.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.123 0.569 . . . . 1.8999999999999999 110.783 176.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.992 ' HG2' ' HA ' ' A' ' 841' ' ' LEU . 3.6 pm0 -59.46 168.97 1.37 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.668 0.747 . . . . 2.9700000000000002 112.819 -174.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.35 -28.19 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.112 -0.949 . . . . 2.8599999999999999 110.15 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.824 ' HA ' HD11 ' A' ' 784' ' ' LEU . 5.4 t80 -57.19 127.82 33.86 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.65000000000000002 110.576 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.7 tp -130.45 138.94 50.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 1.29 110.002 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.99 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.92 146.61 50.9 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.59 -0.893 . . . . 0.95999999999999996 108.59 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.457 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -126.29 124.79 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.441 -0.577 . . . . 1.1000000000000001 109.441 -177.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.495 ' NE ' ' HB3' ' A' ' 854' ' ' TYR . 75.7 ttt180 -102.93 129.97 49.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.329 -0.85 . . . . 2.77 110.479 -178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.611 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 10.0 mt -109.83 74.07 0.87 Allowed 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.468 -0.938 . . . . 2.1299999999999999 108.468 166.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.495 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-N 114.386 -1.279 . . . . 1.77 112.184 -172.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 3.25 109.304 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.49 140.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.457 0.646 . . . . 1.4399999999999999 109.907 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.556 ' HD2' HG13 ' A' ' 851' ' ' ILE . 20.5 t80 -127.67 145.89 50.74 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.59999999999999998 108.818 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 16.3 p -126.14 128.38 47.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.109 0.48 . . . . 2.0600000000000001 109.717 -173.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 798' ' ' ILE . 30.3 tp -149.55 147.61 28.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.993 -1.003 . . . . 1.4399999999999999 109.629 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.3 tp -125.83 112.75 16.38 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.696 -0.853 . . . . 2.0699999999999998 108.696 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.509 HG13 ' CZ3' ' A' ' 789' ' ' TRP . 30.6 m -64.83 112.39 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 1.8 109.953 -174.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.63 -35.88 81.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.059 -0.973 . . . . 3.0600000000000001 110.222 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 -165.66 0.92 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.919 -1.037 . . . . 2.3900000000000001 108.232 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.2 119.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.244 0.545 . . . . 1.75 110.091 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.509 ' CZ3' HG13 ' A' ' 785' ' ' VAL . 14.2 m0 -110.96 122.04 46.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.511 -0.768 . . . . 1.24 109.821 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -80.29 41.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.891 0.377 . . . . 2.4300000000000002 110.869 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 27.5 t80 69.42 -45.15 0.56 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.269 1.028 . . . . 0.60999999999999999 111.97 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 796' ' ' MET . 39.2 m-20 -61.73 -44.13 97.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.393 0.14 . . . . 1.8600000000000001 110.664 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -59.91 -46.9 87.89 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.518 0.675 . . . . 1.3600000000000001 109.957 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.634 ' O ' HG12 ' A' ' 798' ' ' ILE . 7.1 tp -59.46 -50.19 74.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.563 -1.198 . . . . 1.0900000000000001 111.138 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.45 -37.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.208 0.447 . . . . 1.26 112.208 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 70.7 mtm -61.25 -44.28 97.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.084 -0.339 . . . . 3.2200000000000002 110.084 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.25 99.71 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.803 -0.635 . . . . 1.0900000000000001 110.28 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.634 HG12 ' O ' ' A' ' 794' ' ' LEU . 31.4 mm -56.4 -58.16 6.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 CA-C-N 115.903 -0.59 . . . . 1.3600000000000001 110.881 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.09 -46.26 88.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.539 . . . . 1.21 111.734 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.0 t -59.8 -52.01 67.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.172 -0.467 . . . . 1.8400000000000001 110.741 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -68.44 -37.8 80.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.606 0.595 . . . . 2.5 112.606 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 798' ' ' ILE . 30.6 mm . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 121.241 0.543 . . . . 1.5600000000000001 109.926 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 853' ' ' LEU . 74.1 Cg_endo . . . . . 0 N--CA 1.46 -0.494 0 CA-C-O 120.978 0.324 . . . . 0.96999999999999997 111.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 812' ' ' PRO . 49.1 mm 71.29 -53.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.022 -0.99 . . . . 2.0600000000000001 110.39 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 2.5 t 176.78 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 2.4500000000000002 109.585 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -87.06 144.95 26.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.881 -0.6 . . . . 2.9399999999999999 111.711 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 828' ' ' LEU . 15.4 pt -146.27 153.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.427 -0.806 . . . . 1.7 109.858 176.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.721 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.3 mtpt -127.75 146.08 50.7 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.991 -1.115 . . . . 1.96 107.991 174.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.678 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 11.9 p90 -126.67 146.03 50.35 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.495 0.664 . . . . 0.94999999999999996 110.473 -171.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 1.054 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 17.8 tt0 -127.8 143.94 51.11 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.324 -1.307 . . . . 1.3100000000000001 109.503 -174.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -126.07 135.99 52.41 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.406 0.441 . . . . 1.73 109.986 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.493 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.5 tp10 55.43 25.35 7.62 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.01 -1.45 . . . . 3.3799999999999999 110.589 -173.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.421 ' HA ' ' HG2' ' A' ' 819' ' ' GLN . 19.6 t70 51.16 40.09 25.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.023 -0.99 . . . . 5.6299999999999999 110.763 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -129.2 -40.12 0.29 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.179 -1.01 . . . . 1.3899999999999999 113.784 -173.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 2.2 m-20 -128.14 147.06 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.304 0.552 . . . . 1.47 111.674 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.949 ' HD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.73 131.95 53.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.528 0.68 . . . . 1.54 110.369 -172.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.657 HG12 ' CZ ' ' A' ' 818' ' ' TYR . 1.4 p -150.16 150.78 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 113.674 -1.603 . . . . 2.0 108.366 -169.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.721 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.8 p -121.4 134.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.156 -0.965 . . . . 1.8400000000000001 111.009 -166.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 816' ' ' ILE . 0.0 OUTLIER -139.37 159.41 42.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.986 -1.461 . . . . 1.72 110.572 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.14 45.24 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.53 -0.843 . . . . 1.2 112.529 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 34.0 t -144.37 -74.91 0.24 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.786 -0.365 . . . . 2.0899999999999999 110.578 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 27.4 t70 175.93 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 1.79 109.895 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 836' ' ' VAL . 34.0 tt0 -58.64 -44.79 90.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 2.9300000000000002 110.424 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 1.5 p30 -57.22 -47.82 80.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 2.1400000000000001 111.611 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.45 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 28.8 t-105 -66.18 -38.08 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.157 -0.217 . . . . 0.28999999999999998 110.725 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -59.37 -42.24 91.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 110.34 -0.244 . . . . 2.6699999999999999 110.34 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 832' ' ' GLU . 75.2 t -59.63 -45.52 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 2.0499999999999998 110.413 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.29 -51.95 67.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.657 -0.247 . . . . 1.04 111.111 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.45 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 31.3 mtmm -58.39 -47.48 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.592 -0.276 . . . . 1.8700000000000001 111.506 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.42 -41.96 98.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.639 -0.255 . . . . 2.2200000000000002 110.691 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.404 ' HE3' ' HB3' ' A' ' 840' ' ' MET . 10.0 tmm? -56.52 -52.57 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.261 -0.427 . . . . 1.0600000000000001 110.683 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.486 HD12 HG22 ' A' ' 785' ' ' VAL . 24.6 mt -60.42 -57.84 11.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.186 0.517 . . . . 1.3 111.334 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.18 81.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 1.1499999999999999 112.23 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -68.58 -51.12 46.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.492 -0.322 . . . . 2.9199999999999999 111.189 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.652 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.6 m120 -69.17 -58.28 4.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.853 -0.339 . . . . 1.6000000000000001 111.588 -175.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.652 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 7.6 p30 158.08 -31.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.884 0.74 . . . . 1.8999999999999999 109.715 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 821' ' ' GLU . 31.4 mp0 -55.5 159.47 2.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.613 -0.721 . . . . 2.9700000000000002 112.421 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 847' ' ' LYS . 1.1 tppt? -153.13 -25.8 0.15 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.76 -0.654 . . . . 2.8599999999999999 110.929 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.74 131.26 45.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.056 -0.35 . . . . 0.65000000000000002 110.056 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.595 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 13.2 tp -128.64 145.01 51.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.603 0.716 . . . . 1.29 110.325 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 1.054 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.5 m-80 -128.49 145.09 51.21 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.884 -1.154 . . . . 0.95999999999999996 107.884 177.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.619 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -127.62 129.22 70.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.715 -0.394 . . . . 1.1000000000000001 110.296 -172.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.684 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 55.5 ttt180 -106.99 124.43 49.61 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 116.119 -0.492 . . . . 2.77 110.424 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 853' ' ' LEU . 0.0 OUTLIER -119.75 138.1 53.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.618 -0.882 . . . . 2.1299999999999999 108.618 170.047 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.568 ' HD2' ' HG2' ' A' ' 852' ' ' ARG . 35.9 p90 . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 118.392 -0.814 . . . . 1.77 110.201 -167.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 43.0 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.945 0.402 . . . . 3.25 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.3 tp -113.88 134.94 55.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.736 -0.665 . . . . 1.4399999999999999 110.196 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.493 ' HD2' HG13 ' A' ' 851' ' ' ILE . 27.6 t80 -128.68 146.84 50.76 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.76 -0.83 . . . . 0.59999999999999998 108.76 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 98.5 m -126.1 127.17 45.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.384 0.611 . . . . 2.0600000000000001 109.937 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 783' ' ' LEU . 22.6 tp -149.82 146.54 27.2 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.395 -1.275 . . . . 1.4399999999999999 108.743 -172.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.8 tt -126.85 119.83 27.75 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 119.953 -0.699 . . . . 2.0699999999999998 109.649 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 841' ' ' LEU . 20.0 m -65.51 132.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.705 -1.134 . . . . 1.8 111.978 -170.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -86.86 -120.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 3.0600000000000001 110.788 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -73.11 53.76 0.38 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.332 -0.849 . . . . 2.3900000000000001 112.225 -178.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 21.4 t 56.05 74.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.366 0.603 . . . . 1.75 111.142 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.418 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 35.9 m0 -57.92 129.65 42.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.5 -0.773 . . . . 1.24 111.9 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -84.19 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.353 0.596 . . . . 2.4300000000000002 110.531 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 15.8 t80 69.16 -53.23 0.59 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.938 0.895 . . . . 0.60999999999999999 112.484 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.77 -40.88 94.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.838 0.351 . . . . 1.8600000000000001 110.691 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 796' ' ' MET . 1.1 m-20 -65.16 -40.18 93.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 1.3600000000000001 110.41 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 798' ' ' ILE . 6.3 tp -64.02 -44.93 91.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 1.0900000000000001 110.509 176.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.8 mm -60.07 -50.8 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 1.26 111.596 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -64.07 -36.68 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.194 -0.202 . . . . 3.2200000000000002 110.903 -177.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.74 87.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.885 0.374 . . . . 1.0900000000000001 110.288 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.68 HD12 HG21 ' A' ' 851' ' ' ILE . 85.7 mt -60.98 -46.21 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 1.3600000000000001 110.524 175.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.626 HD22 ' HD3' ' A' ' 812' ' ' PRO . 3.7 m120 -62.5 -39.78 94.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.741 . . . . 1.21 112.062 -176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 p -69.21 -40.32 78.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 1.8400000000000001 110.552 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -68.06 -57.48 6.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 2.5 112.022 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.44 HD12 HD22 ' A' ' 853' ' ' LEU . 63.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 1.5600000000000001 110.186 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.626 ' HD3' HD22 ' A' ' 799' ' ' ASN . 28.0 Cg_exo . . . . . 0 CA--C 1.512 -0.588 0 CA-C-O 120.866 0.277 . . . . 0.96999999999999997 111.828 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.793 HG22 HG22 ' A' ' 814' ' ' THR . 48.3 mm 70.7 -67.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.796 -1.093 . . . . 2.0600000000000001 109.394 -171.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.793 HG22 HG22 ' A' ' 813' ' ' ILE . 2.8 t 168.27 -46.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.275 -0.875 . . . . 2.4500000000000002 109.755 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.761 ' HG2' HG21 ' A' ' 814' ' ' THR . 24.5 mmmt -104.52 -44.05 5.0 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.495 . . . . 2.9399999999999999 110.42 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 815' ' ' LYS . 1.4 pt 71.3 149.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 124.963 1.415 . . . . 1.7 110.855 -173.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.958 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 18.2 ttmm -127.47 145.81 50.71 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.226 -1.398 . . . . 1.96 107.226 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.578 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 8.1 p90 -126.81 146.55 50.22 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.226 0.536 . . . . 0.94999999999999996 110.323 -170.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.994 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.4 tt0 -127.55 146.16 50.61 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.531 -1.213 . . . . 1.3100000000000001 108.758 -173.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.569 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 2.8 p30 -125.77 146.33 49.82 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.418 -0.586 . . . . 1.73 109.418 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.7 tp10 -38.72 -40.01 0.56 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.722 -1.126 . . . . 3.3799999999999999 113.249 -170.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.17 -31.81 65.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 5.6299999999999999 111.392 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 113.81 47.95 0.6 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.571 -0.612 . . . . 1.3899999999999999 111.571 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.569 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 33.6 t70 -128.58 147.9 50.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.687 -0.256 . . . . 1.47 110.903 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.59 126.13 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.644 0.735 . . . . 1.54 109.951 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.578 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 44.7 t -136.4 147.88 27.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.408 -1.269 . . . . 2.0 108.38 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.79 139.07 51.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 108.73 -0.841 . . . . 1.8400000000000001 108.73 -175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.534 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.8 pp -128.0 156.62 42.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.559 -0.746 . . . . 1.72 111.97 -166.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.73 -33.37 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 114.951 -1.022 . . . . 1.2 111.365 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -83.89 12.89 5.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.648 0.24 . . . . 2.0899999999999999 111.648 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.69 -47.64 0.65 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.405 0.682 . . . . 1.79 111.705 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 836' ' ' VAL . 81.9 mt-10 -54.59 -36.87 64.88 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.898 0.479 . . . . 2.9300000000000002 111.39 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.534 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -57.31 -44.01 83.76 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.472 0.654 . . . . 2.1400000000000001 110.037 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.604 ' HH2' HG11 ' A' ' 785' ' ' VAL . 27.4 t-105 -65.14 -39.75 93.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.495 -0.775 . . . . 0.28999999999999998 110.86 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.447 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.6 t30 -58.8 -41.39 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.094 -0.336 . . . . 2.6699999999999999 110.094 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 832' ' ' GLU . 95.6 t -58.83 -45.67 91.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.516 -0.765 . . . . 2.0499999999999998 110.426 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.667 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.1 -49.03 78.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 1.04 111.458 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 50.4 mtmt -55.0 -49.57 71.17 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.726 0.298 . . . . 1.8700000000000001 111.037 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.13 -39.97 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 2.2200000000000002 110.665 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 820' ' ' ASP . 36.2 ttp -55.92 -55.36 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.494 . . . . 1.0600000000000001 111.044 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 785' ' ' VAL . 15.4 mt -55.57 -55.72 28.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.425 . . . . 1.3 110.768 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.88 62.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.661 -0.7 . . . . 1.1499999999999999 112.681 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.1 -44.81 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.509 0.195 . . . . 2.9199999999999999 111.379 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.655 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.5 m120 -68.12 -57.63 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.889 -0.325 . . . . 1.6000000000000001 110.612 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.655 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 8.1 p30 140.88 -26.31 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.899 1.375 . . . . 1.8999999999999999 108.433 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 78.9 mt-10 -78.16 88.45 4.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.419 -1.264 . . . . 2.9700000000000002 110.977 -171.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 13.0 ttmm -81.69 -5.88 58.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.642 -0.708 . . . . 2.8599999999999999 110.567 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.7 t80 -67.06 126.31 28.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.073 -0.512 . . . . 0.65000000000000002 110.478 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 29.3 tp -128.1 141.27 51.54 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.798 0.808 . . . . 1.29 110.521 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.994 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -129.02 147.01 50.85 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.075 -1.083 . . . . 0.95999999999999996 108.075 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 798' ' ' ILE . 0.1 OUTLIER -125.9 125.33 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.293 0.568 . . . . 1.1000000000000001 109.973 -173.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.958 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 7.3 tpt180 -90.47 132.66 35.53 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.85 -1.068 . . . . 2.77 111.138 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 779' ' ' GLU . 1.2 mm? -116.0 136.84 52.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.776 -1.194 . . . . 2.1299999999999999 107.776 166.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.211 -0.9 . . . . 1.77 110.307 -166.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 109.274 -0.639 . . . . 3.25 109.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.652 HD13 ' HB3' ' A' ' 850' ' ' ASN . 7.0 tp -83.7 138.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 N-CA-C 109.468 -0.568 . . . . 1.4399999999999999 109.468 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.496 ' HD2' HG13 ' A' ' 851' ' ' ILE . 17.5 t80 -127.3 145.39 50.81 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.893 -0.78 . . . . 0.59999999999999998 108.893 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.2 m -126.65 129.76 49.12 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.695 -0.483 . . . . 2.0600000000000001 109.695 -174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.7 tp -149.33 145.07 26.83 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.871 -1.058 . . . . 1.4399999999999999 109.114 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.8 HD22 ' HD2' ' A' ' 847' ' ' LYS . 7.0 tt -128.59 113.64 15.69 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.743 -0.836 . . . . 2.0699999999999998 108.743 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.555 HG22 HD11 ' A' ' 841' ' ' LEU . 22.6 m -63.29 105.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.306 -0.861 . . . . 1.8 111.088 -169.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.29 -41.97 72.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.108 -0.951 . . . . 3.0600000000000001 111.603 -171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.631 ' HD2' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -140.04 50.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.961 0.41 . . . . 2.3900000000000001 110.557 176.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.802 HG22 ' HD2' ' A' ' 838' ' ' LYS . 1.2 p 65.49 -41.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.565 1.546 . . . . 1.75 113.43 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.631 ' CD1' ' HD2' ' A' ' 787' ' ' LYS . 30.6 m0 66.79 126.66 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.47 0.652 . . . . 1.24 112.153 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -84.49 42.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.917 -0.583 . . . . 2.4300000000000002 110.641 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 34.6 t80 72.28 -50.14 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.202 -0.908 . . . . 0.60999999999999999 112.033 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.14 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 1.8600000000000001 110.669 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -67.99 -40.05 83.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.912 -0.586 . . . . 1.3600000000000001 110.415 176.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.7 tp -61.45 -41.75 97.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.602 -0.726 . . . . 1.0900000000000001 110.355 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.15 -51.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.342 -0.39 . . . . 1.26 111.849 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -62.32 -36.39 82.03 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.955 -0.298 . . . . 3.2200000000000002 110.375 -179.155 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0900000000000001 110.335 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 794' ' ' LEU . 68.0 mt -60.69 -51.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 1.3600000000000001 110.781 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -55.8 -50.74 69.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.576 -0.738 . . . . 1.21 111.759 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 19.5 m -65.25 -45.56 84.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.8400000000000001 111.413 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -68.13 -43.5 78.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.457 0.54 . . . . 2.5 112.457 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 802' ' ' ILE . 25.0 mt . . . . . 0 C--N 1.333 -0.15 0 C-N-CA 120.876 -0.33 . . . . 1.5600000000000001 110.619 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.552 ' HB2' ' CG2' ' A' ' 816' ' ' ILE . 3.7 Cg_exo . . . . . 0 N--CA 1.462 -0.381 0 CA-C-O 121.074 0.364 . . . . 0.96999999999999997 111.829 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 813' ' ' ILE . 11.6 mm 66.63 0.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.281 -0.872 . . . . 2.0600000000000001 111.223 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.456 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 30.8 p 53.96 25.75 5.69 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.324 0.65 . . . . 2.4500000000000002 110.491 -174.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 814' ' ' THR . 3.4 tppt? -144.18 40.95 1.37 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.022 -0.535 . . . . 2.9399999999999999 110.431 -172.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.552 ' CG2' ' HB2' ' A' ' 812' ' ' PRO . 33.4 pt -73.39 154.03 7.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.692 -0.685 . . . . 1.7 110.981 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 37.2 tttp -125.77 143.59 50.99 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 106.605 -1.628 . . . . 1.96 106.605 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 6.8 p90 -126.49 145.29 50.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.693 0.759 . . . . 0.94999999999999996 110.27 -169.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.955 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.67 147.7 50.76 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.863 -1.517 . . . . 1.3100000000000001 109.689 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.642 ' HB2' ' HE1' ' A' ' 840' ' ' MET . 5.3 t70 -123.79 143.6 50.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.92 -0.771 . . . . 1.73 108.92 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.3 tp10 -45.8 -35.76 4.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.531 -0.759 . . . . 3.3799999999999999 112.485 -171.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.69 -39.87 68.56 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.133 0.492 . . . . 5.6299999999999999 110.9 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 123.96 53.78 0.19 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.665 -0.698 . . . . 1.3899999999999999 111.395 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 41.6 t0 -128.73 144.92 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.262 -0.175 . . . . 1.47 110.713 -176.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 5.7 m-85 -128.11 126.8 41.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.111 0.482 . . . . 1.54 110.304 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 58.7 t -147.07 148.91 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.993 -1.114 . . . . 2.0 107.993 -176.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 816' ' ' ILE . 12.3 p -123.35 137.38 56.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.722 -0.844 . . . . 1.8400000000000001 108.722 -174.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.34 153.61 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.217 0.821 . . . . 1.72 113.217 -164.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.87 38.64 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.585 -1.188 . . . . 1.2 111.791 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 9.8 m -156.19 29.18 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.633 0.235 . . . . 2.0899999999999999 111.633 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 65.45 -59.92 0.27 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.566 0.95 . . . . 1.79 113.566 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.59 -32.6 72.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.909 0.385 . . . . 2.9300000000000002 111.254 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.538 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 p30 -64.55 -42.51 95.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 2.1400000000000001 111.033 177.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.528 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 27.4 t-105 -67.42 -38.27 84.33 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.486 -0.486 . . . . 0.28999999999999998 109.843 172.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 3.5 m120 -57.33 -48.53 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 2.6699999999999999 111.225 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 833' ' ' ASP . 32.6 m -65.66 -36.14 76.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.974 -0.29 . . . . 2.0499999999999998 110.831 177.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.52 -45.48 93.69 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.681 -0.407 . . . . 1.04 110.447 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.802 ' HD2' HG22 ' A' ' 788' ' ' VAL . 48.2 mtmt -59.47 -45.19 92.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.297 . . . . 1.8700000000000001 110.331 176.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 96.8 mt-10 -58.42 -46.89 85.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.966 -0.561 . . . . 2.2200000000000002 110.021 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.642 ' HE1' ' HB2' ' A' ' 820' ' ' ASP . 39.7 ttp -52.71 -51.29 61.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.55 -0.75 . . . . 1.0600000000000001 110.606 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.555 HD11 HG22 ' A' ' 785' ' ' VAL . 50.3 mt -60.17 -52.84 63.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.866 -0.606 . . . . 1.3 111.394 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.73 85.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.229 0.455 . . . . 1.1499999999999999 112.229 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.19 -52.9 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 2.9199999999999999 111.165 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.533 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.6 m-80 -66.01 -34.81 78.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.914 -0.584 . . . . 1.6000000000000001 110.83 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.533 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 98.0 -13.35 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.77 1.294 . . . . 1.8999999999999999 109.888 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.22 141.07 49.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.9700000000000002 109.577 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.8 ' HD2' HD22 ' A' ' 784' ' ' LEU . 20.3 ttmm -125.82 -13.03 6.47 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.029 0.442 . . . . 2.8599999999999999 110.655 -170.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.584 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.5 t80 -66.23 124.83 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.497 -0.774 . . . . 0.65000000000000002 110.286 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 819' ' ' GLN . 31.8 tp -128.51 140.85 51.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.785 -0.643 . . . . 1.29 109.407 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.955 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.1 m-80 -130.32 146.55 51.92 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.597 -0.89 . . . . 0.95999999999999996 108.597 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.64 124.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.182 -0.673 . . . . 1.1000000000000001 109.182 -175.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.625 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.3 ttt180 -99.91 116.37 31.81 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 115.773 -0.649 . . . . 2.77 109.97 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.565 ' N ' HD21 ' A' ' 853' ' ' LEU . 4.1 mm? -93.73 57.26 2.49 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.661 -0.7 . . . . 2.1299999999999999 109.89 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.392 -0.813 . . . . 1.77 111.114 -174.728 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 122.329 1.061 . . . . 3.25 108.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -177.67 133.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 112.871 -1.968 . . . . 1.4399999999999999 109.239 -176.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 12.0 t80 -150.15 146.71 27.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.746 -1.205 . . . . 0.59999999999999998 107.746 -172.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.7 t -126.27 130.37 50.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.412 0.625 . . . . 2.0600000000000001 110.497 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 783' ' ' LEU . 20.8 tp -150.08 147.08 27.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.346 -1.297 . . . . 1.4399999999999999 108.903 -173.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.5 tt -126.45 115.69 19.97 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.417 -0.586 . . . . 2.0699999999999998 109.417 -174.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 16.5 m -71.94 135.91 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.126 -0.943 . . . . 1.8 110.981 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -121.89 -78.83 0.6 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.569 -0.453 . . . . 3.0600000000000001 111.247 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 44.45 0.68 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.147 0.425 . . . . 2.3900000000000001 112.147 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.7 t 43.47 63.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 123.629 0.58 . . . . 1.75 111.309 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 34.2 m0 -51.16 131.29 27.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.115 -0.948 . . . . 1.24 112.333 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.74 42.08 0.83 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.201 0.524 . . . . 2.4300000000000002 110.718 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 16.1 t80 71.76 -47.67 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.019 0.928 . . . . 0.60999999999999999 111.47 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 796' ' ' MET . 38.4 t70 -57.58 -45.29 85.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.769 0.319 . . . . 1.8600000000000001 110.416 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 18.2 m-20 -61.51 -47.52 85.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.708 -0.678 . . . . 1.3600000000000001 110.321 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.672 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.5 tp -57.46 -48.92 77.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.711 -1.131 . . . . 1.0900000000000001 110.703 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.08 -36.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.693 0.257 . . . . 1.26 111.693 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.521 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.5 mtp -58.09 -48.43 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.203 -0.295 . . . . 3.2200000000000002 110.203 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.6 98.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0900000000000001 110.782 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.672 HG12 ' O ' ' A' ' 794' ' ' LEU . 36.3 mm -54.26 -57.53 5.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.747 -0.661 . . . . 1.3600000000000001 110.895 177.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.3 -43.54 90.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.424 -0.807 . . . . 1.21 112.218 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 68.8 m -60.48 -44.98 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 1.8400000000000001 111.131 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -68.91 -40.35 79.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.084 -0.385 . . . . 2.5 111.85 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 798' ' ' ILE . 78.8 mt . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 111.914 0.339 . . . . 1.5600000000000001 111.914 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 121.011 0.338 . . . . 0.96999999999999997 111.62 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 32.5 mm 60.72 24.29 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.788 0.804 . . . . 2.0600000000000001 109.624 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 43.2 p 50.53 25.81 2.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.978 -1.01 . . . . 2.4500000000000002 111.43 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 814' ' ' THR . 0.0 OUTLIER -128.89 116.1 18.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.67 -0.696 . . . . 2.9399999999999999 109.963 -176.401 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 827' ' ' VAL . 5.7 pt -149.62 143.27 17.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.597 0.713 . . . . 1.7 111.127 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.827 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.4 mtpt -127.43 146.52 50.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.892 -1.049 . . . . 1.96 108.661 175.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.673 ' CZ ' HG13 ' A' ' 826' ' ' VAL . 10.7 p90 -126.66 145.29 50.63 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.348 0.594 . . . . 0.94999999999999996 110.326 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.971 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 14.0 tt0 -128.62 146.0 50.98 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.586 -1.188 . . . . 1.3100000000000001 110.136 -172.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -124.9 138.79 54.23 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.914 -0.402 . . . . 1.73 109.914 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 53.78 24.89 4.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.376 -1.284 . . . . 3.3799999999999999 112.042 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.508 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 23.6 t70 50.12 47.02 24.12 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.669 0.606 . . . . 5.6299999999999999 110.941 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.57 -29.37 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.879 -1.153 . . . . 1.3899999999999999 113.703 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.0 146.16 50.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.061 0.43 . . . . 1.47 110.213 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.697 ' HD2' ' HE2' ' A' ' 817' ' ' LYS . 0.2 OUTLIER -125.25 132.96 52.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.543 0.687 . . . . 1.54 110.564 -176.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.673 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 1.4 p -150.08 149.17 14.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 113.696 -1.593 . . . . 2.0 108.464 -172.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.827 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.6 p -123.03 142.6 39.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.342 -0.849 . . . . 1.8400000000000001 110.553 -168.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 4.5 pp -128.65 157.91 40.0 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.201 -0.908 . . . . 1.72 110.541 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.31 -27.21 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.613 -0.804 . . . . 1.2 112.692 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 62.2 m -87.79 20.4 3.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.564 -0.374 . . . . 2.0899999999999999 111.336 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 21.8 t70 69.76 -53.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.669 0.788 . . . . 1.79 112.675 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -53.6 -37.95 63.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.924 0.392 . . . . 2.9300000000000002 111.235 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -52.98 -40.9 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 2.1400000000000001 110.78 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.499 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 29.1 t-105 -64.53 -44.39 91.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.28999999999999998 111.212 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.428 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 36.9 t30 -61.59 -36.65 81.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.697 -0.483 . . . . 2.6699999999999999 109.697 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 2.0499999999999998 110.567 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.82 -46.84 88.97 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.669 -0.241 . . . . 1.04 110.978 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.499 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 48.6 mtmt -56.66 -50.66 71.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.58 0.229 . . . . 1.8700000000000001 111.091 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.33 -40.11 93.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.054 -0.521 . . . . 2.2200000000000002 110.173 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.443 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 40.3 ttp -54.39 -56.79 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.705 -0.68 . . . . 1.0600000000000001 110.551 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 13.0 mt -61.31 -58.17 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 1.3 111.593 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.59 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.491 -0.777 . . . . 1.1499999999999999 112.503 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.73 -53.24 23.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.907 -0.317 . . . . 2.9199999999999999 111.522 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.596 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 73.5 m-20 -69.47 -58.31 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.359 -0.536 . . . . 1.6000000000000001 112.344 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.596 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 3.8 p30 164.99 -29.81 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.287 0.367 . . . . 1.8999999999999999 110.927 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 844' ' ' ASN . 45.8 mp0 -60.23 168.82 1.83 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.736 -0.665 . . . . 2.9700000000000002 112.301 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -162.78 -31.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 2.8599999999999999 110.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -65.35 124.83 23.28 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.65000000000000002 110.018 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 21.0 tp -128.55 143.79 51.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.317 0.58 . . . . 1.29 110.334 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.971 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 69.4 m-80 -128.96 145.4 51.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.635 -0.711 . . . . 0.95999999999999996 109.142 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.75 130.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.003 -0.369 . . . . 1.1000000000000001 110.003 -171.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.579 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 58.4 ttt180 -107.45 132.78 52.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.41 -0.516 . . . . 2.77 111.127 175.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.79 140.74 34.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.481 -1.303 . . . . 2.1299999999999999 107.481 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 22.7 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.46 -0.781 . . . . 1.77 110.605 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 39.6 mt-10 . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.158 -0.682 . . . . 3.25 109.158 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -106.8 130.62 58.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.509 0.671 . . . . 1.4399999999999999 110.253 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.671 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.9 t80 -128.65 146.42 50.87 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.012 -0.994 . . . . 0.59999999999999998 108.878 -177.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 65.2 m -126.79 126.3 43.16 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.179 0.514 . . . . 2.0600000000000001 109.967 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.432 HD21 HD13 ' A' ' 798' ' ' ILE . 33.9 tp -150.21 145.84 26.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.563 -1.199 . . . . 1.4399999999999999 109.213 -170.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.868 HD21 ' HE3' ' A' ' 847' ' ' LYS . 8.0 mp -128.16 129.52 46.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.232 -0.655 . . . . 2.0699999999999998 109.232 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.6 HG13 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -63.93 122.0 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.627 -0.715 . . . . 1.8 111.355 -171.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.02 -45.87 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.727 -1.124 . . . . 3.0600000000000001 111.606 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -140.64 53.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.42 . . . . 2.3900000000000001 110.476 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 78.5 t 72.1 -52.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.393 -0.821 . . . . 1.75 111.631 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 49.8 m0 68.66 115.21 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.67 0.606 . . . . 1.24 111.879 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -80.28 41.14 0.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.763 -0.653 . . . . 2.4300000000000002 111.359 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.474 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.6 t80 70.73 -48.59 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.86 0.864 . . . . 0.60999999999999999 111.29 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 796' ' ' MET . 50.3 m-20 -61.45 -43.93 98.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.725 -0.216 . . . . 1.8600000000000001 110.489 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.43 -46.49 89.83 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.317 0.58 . . . . 1.3600000000000001 110.697 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.2 tp -59.02 -48.08 82.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.855 -1.066 . . . . 1.0900000000000001 110.669 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' A' ' 798' ' ' ILE . 21.7 mm -66.56 -36.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 111.813 0.301 . . . . 1.26 111.813 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 91.7 mtp -57.78 -45.51 85.9 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.944 -0.391 . . . . 3.2200000000000002 109.944 176.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.29 94.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.749 -0.659 . . . . 1.0900000000000001 110.337 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 794' ' ' LEU . 20.4 mm -53.93 -53.93 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.458 -0.792 . . . . 1.3600000000000001 111.225 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.95 -44.92 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 1.21 111.446 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.5 t -64.31 -52.75 56.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.278 -0.419 . . . . 1.8400000000000001 111.135 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.97 -48.73 62.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.43 0.53 . . . . 2.5 112.43 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.413 HD12 HG22 ' A' ' 798' ' ' ILE . 75.6 mt . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.69 0.281 . . . . 1.5600000000000001 111.039 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 813' ' ' ILE . 2.6 Cg_endo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.273 -0.318 . . . . 0.96999999999999997 111.273 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.73 HG21 ' HG2' ' A' ' 815' ' ' LYS . 3.0 tp 66.57 -1.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.301 1.04 . . . . 2.0600000000000001 112.34 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 43.8 p 64.3 -15.18 0.08 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.859 1.264 . . . . 2.4500000000000002 113.019 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.73 ' HG2' HG21 ' A' ' 813' ' ' ILE . 1.4 mmpt? -84.51 45.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.69 -0.485 . . . . 2.9399999999999999 109.69 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 38.6 pt -76.86 148.6 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.671 0.748 . . . . 1.7 110.897 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.839 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 31.9 ttmt -127.35 141.77 51.61 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.859 -1.163 . . . . 1.96 107.859 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.69 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.9 p90 -127.99 146.24 50.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.185 0.516 . . . . 0.94999999999999996 109.949 -172.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.74 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -128.03 145.85 50.86 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.943 -1.026 . . . . 1.3100000000000001 110.66 -172.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.576 ' HB2' ' HE2' ' A' ' 840' ' ' MET . 19.7 t0 -125.75 140.71 52.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.874 -0.603 . . . . 1.73 109.672 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 821' ' ' GLU . 23.9 tt0 61.06 12.39 3.96 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.235 -0.893 . . . . 3.3799999999999999 111.228 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 7.0 t70 56.75 52.54 9.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 5.6299999999999999 109.989 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -165.1 -17.5 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.156 -1.021 . . . . 1.3899999999999999 114.617 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 22.3 t70 -127.54 145.97 50.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.559 0.679 . . . . 1.47 109.981 -178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.69 133.07 52.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.493 0.664 . . . . 1.54 111.426 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.69 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 32.4 t -138.56 148.81 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.831 -1.077 . . . . 2.0 108.838 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.796 HG23 ' HG3' ' A' ' 817' ' ' LYS . 45.7 t -122.68 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 108.83 -0.804 . . . . 1.8400000000000001 108.83 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 4.5 pp -130.77 148.13 52.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.565 -0.743 . . . . 1.72 111.36 -172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -139.44 -42.02 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.487 -1.445 . . . . 1.2 109.487 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 44.5 t -82.56 141.04 32.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.787 -0.82 . . . . 2.0899999999999999 108.787 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -63.77 -9.99 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.212 0.449 . . . . 1.79 112.212 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -62.23 -47.37 84.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 2.9300000000000002 111.172 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.17 -36.81 83.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.204 0.526 . . . . 2.1400000000000001 109.828 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.6 ' HH2' HG13 ' A' ' 785' ' ' VAL . 36.0 t-105 -64.77 -40.15 94.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.28999999999999998 110.429 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 21.6 t30 -58.37 -43.91 88.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.628 -0.508 . . . . 2.6699999999999999 109.628 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.48 -44.88 85.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.211 -0.904 . . . . 2.0499999999999998 110.69 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.11 99.46 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.354 -0.384 . . . . 1.04 111.625 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -58.52 -49.06 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.799 0.333 . . . . 1.8700000000000001 110.237 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 45.4 mt-10 -61.44 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.865 -0.607 . . . . 2.2200000000000002 110.171 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.576 ' HE2' ' HB2' ' A' ' 820' ' ' ASP . 50.8 ttp -57.24 -53.48 57.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.504 -0.771 . . . . 1.0600000000000001 111.273 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.966 ' HG ' ' HA ' ' A' ' 847' ' ' LYS . 3.5 mp -59.34 -50.52 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.204 -0.453 . . . . 1.3 111.552 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.05 -50.33 64.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 1.1499999999999999 111.931 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.73 -50.83 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 2.9199999999999999 111.173 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 69.4 m-80 -67.95 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.142 -0.481 . . . . 1.6000000000000001 111.454 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.59 -3.83 0.15 Allowed 'General case' 0 N--CA 1.483 1.207 0 O-C-N 124.666 1.229 . . . . 1.8999999999999999 111.223 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 848' ' ' PHE . 3.0 mm-40 -60.55 -57.22 13.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.872 -0.331 . . . . 2.9700000000000002 110.674 -175.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.966 ' HA ' ' HG ' ' A' ' 841' ' ' LEU . 37.9 ttpt 67.93 -24.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.182 0.808 . . . . 2.8599999999999999 113.182 172.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.465 ' H ' ' C ' ' A' ' 846' ' ' GLU . 5.4 t80 -62.71 124.78 21.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.312 -0.625 . . . . 0.65000000000000002 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.6 HD21 ' HD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -127.8 138.32 52.69 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.619 0.724 . . . . 1.29 109.624 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.74 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 61.8 m-80 -128.06 145.64 50.93 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.02 -1.104 . . . . 0.95999999999999996 108.02 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.671 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.59 124.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 109.292 -0.633 . . . . 1.1000000000000001 109.292 -170.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.839 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 60.0 ttt180 -110.23 123.46 49.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.927 -0.579 . . . . 2.77 111.222 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 853' ' ' LEU . 2.2 mm? -101.05 122.99 44.53 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.407 -1.331 . . . . 2.1299999999999999 107.407 169.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.447 -0.787 . . . . 1.77 110.486 -172.81 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.071 -0.344 . . . . 3.25 110.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.806 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -74.3 137.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.529 0.68 . . . . 1.4399999999999999 110.068 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.536 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -127.64 144.32 51.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.243 -1.021 . . . . 0.59999999999999998 108.243 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.4 t -126.85 131.98 51.08 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.253 -0.647 . . . . 2.0600000000000001 109.253 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 797' ' ' ALA . 15.2 tp -150.1 146.42 26.91 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.607 -1.178 . . . . 1.4399999999999999 109.397 -166.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.1 mp -126.49 119.58 27.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.418 -0.586 . . . . 2.0699999999999998 109.418 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 841' ' ' LEU . 27.5 m -70.37 61.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.615 -1.175 . . . . 1.8 113.545 -168.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.642 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 68.4 mm-40 -60.27 146.28 44.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.309 -0.859 . . . . 3.0600000000000001 110.871 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 786' ' ' GLU . 34.2 pttt 62.05 2.4 0.79 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.166 0.986 . . . . 2.3900000000000001 112.846 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 60.2 t 60.55 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.612 0.72 . . . . 1.75 111.423 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 15.8 m0 -70.38 135.1 48.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.259 -0.882 . . . . 1.24 111.344 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 40.5 t30 -68.44 -43.07 77.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.355 -0.538 . . . . 2.4300000000000002 110.523 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 170.05 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.479 -1.237 . . . . 0.60999999999999999 110.056 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -62.06 -36.29 81.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.764 -0.458 . . . . 1.8600000000000001 109.764 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.5 OUTLIER -61.11 -42.22 98.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.303 0.573 . . . . 1.3600000000000001 110.19 176.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.543 HD23 ' CZ2' ' A' ' 834' ' ' TRP . 0.9 OUTLIER -65.89 -44.28 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 1.0900000000000001 110.04 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.74 -42.72 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 1.26 110.767 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.917 ' HA ' ' HE3' ' A' ' 796' ' ' MET . 0.3 OUTLIER -61.04 -42.93 99.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.531 -0.304 . . . . 3.2200000000000002 111.431 177.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' A' ' 783' ' ' LEU . . . -61.58 -42.88 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 1.0900000000000001 110.241 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.48 HD12 HD11 ' A' ' 794' ' ' LEU . 80.4 mt -61.8 -50.74 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.513 -0.767 . . . . 1.3600000000000001 110.755 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.59 -42.54 92.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.686 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.2 p -68.36 -49.51 59.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.412 -0.358 . . . . 1.8400000000000001 111.053 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -69.49 -53.78 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.087 0.402 . . . . 2.5 112.087 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 802' ' ' ILE . 29.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.5600000000000001 110.267 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.411 ' O ' ' HB ' ' A' ' 813' ' ' ILE . 3.8 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 N-CA-C 111.413 -0.264 . . . . 0.96999999999999997 111.413 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 812' ' ' PRO . 46.9 mm 71.47 -82.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 2.0600000000000001 109.364 -172.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 160.0 -47.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.431 1.492 . . . . 2.4500000000000002 109.049 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 0.8 OUTLIER -78.88 60.17 2.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.59 -0.732 . . . . 2.9399999999999999 110.492 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.437 HD13 HD13 ' A' ' 828' ' ' LEU . 26.1 pt -65.17 144.52 14.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.517 0.675 . . . . 1.7 110.711 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.965 ' HG3' HG22 ' A' ' 827' ' ' VAL . 40.3 tttp -126.45 137.74 53.44 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 107.222 -1.399 . . . . 1.96 107.222 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.518 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.1 p90 -126.55 145.65 50.44 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.298 0.57 . . . . 0.94999999999999996 110.301 -171.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 1.012 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 38.0 tt0 -128.84 142.61 50.91 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 113.893 -1.503 . . . . 1.3100000000000001 109.426 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -126.55 137.94 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.022 0.439 . . . . 1.73 111.449 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.555 ' HB2' ' HG2' ' A' ' 846' ' ' GLU . 16.3 tp10 45.47 37.42 3.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.837 -1.529 . . . . 3.3799999999999999 111.447 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.885 ' HA ' HE21 ' A' ' 819' ' ' GLN . 33.2 t0 50.54 52.26 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.173 -0.921 . . . . 5.6299999999999999 111.61 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -154.95 -38.06 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 119.324 -1.417 . . . . 1.3899999999999999 115.068 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.546 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 27.5 t70 -127.88 148.54 50.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.788 0.794 . . . . 1.47 111.69 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.861 ' HB3' ' HE3' ' A' ' 817' ' ' LYS . 13.7 m-85 -124.09 136.5 54.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.57 0.7 . . . . 1.54 111.218 -172.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 42.6 t -145.6 149.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.368 -1.287 . . . . 2.0 108.93 -175.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.965 HG22 ' HG3' ' A' ' 817' ' ' LYS . 79.6 t -122.76 128.86 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.957 -0.757 . . . . 1.8400000000000001 108.957 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 816' ' ' ILE . 3.4 pp -128.63 150.51 50.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.706 -0.679 . . . . 1.72 111.033 -171.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -160.21 35.12 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.521 -1.432 . . . . 1.2 109.521 174.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.1 m -160.33 141.64 12.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.87 -1.165 . . . . 2.0899999999999999 107.918 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -51.27 -40.3 58.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.989 -0.55 . . . . 1.79 112.348 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.64 -45.1 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.472 0.545 . . . . 2.9300000000000002 112.472 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.449 ' O ' HG21 ' A' ' 836' ' ' VAL . 12.7 t0 -63.64 -37.81 88.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.185 0.517 . . . . 2.1400000000000001 110.355 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.543 ' CZ2' HD23 ' A' ' 794' ' ' LEU . 26.5 t-105 -67.54 -43.26 81.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.96 -0.563 . . . . 0.28999999999999998 109.807 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.448 ' HA ' ' HZ1' ' A' ' 838' ' ' LYS . 52.1 t30 -57.86 -46.93 84.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 2.6699999999999999 111.113 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 833' ' ' ASP . 24.1 m -66.06 -36.24 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 121.164 -0.214 . . . . 2.0499999999999998 110.694 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.38 88.68 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.414 -0.217 . . . . 1.04 110.414 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.448 ' HZ1' ' HA ' ' A' ' 835' ' ' ASN . 23.2 mtmm -58.76 -46.88 86.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 121.032 -0.267 . . . . 1.8700000000000001 110.506 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.59 -43.83 84.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 2.2200000000000002 110.094 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -55.41 -52.4 63.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 1.0600000000000001 110.731 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 785' ' ' VAL . 24.3 mt -61.23 -57.79 10.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 1.3 111.465 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.38 80.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.758 0.651 . . . . 1.1499999999999999 112.758 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.25 -46.72 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.647 -0.251 . . . . 2.9199999999999999 111.558 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.568 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.3 m-80 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.569 -0.452 . . . . 1.6000000000000001 111.677 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.568 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 14.3 p30 156.4 -27.69 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.758 -0.83 . . . . 1.8999999999999999 108.758 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.555 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 7.8 mt-10 -63.68 157.78 23.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.752 -1.567 . . . . 2.9700000000000002 113.0 -171.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -147.9 -28.81 0.33 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.559 -0.746 . . . . 2.8599999999999999 110.065 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.53 ' HE2' HD22 ' A' ' 850' ' ' ASN . 9.1 t80 -55.89 124.04 16.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.131 -0.486 . . . . 0.65000000000000002 110.017 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 33.4 tp -129.23 139.69 51.75 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.282 -0.636 . . . . 1.29 109.282 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 76.4 m-20 -128.77 146.7 50.83 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.521 -0.918 . . . . 0.95999999999999996 108.521 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.7 OUTLIER -126.1 124.22 65.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 108.97 -0.752 . . . . 1.1000000000000001 108.97 -175.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 69.4 ttt180 -103.35 115.48 30.62 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.835 -0.62 . . . . 2.77 109.716 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -95.62 61.68 2.29 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.938 -0.764 . . . . 2.1299999999999999 108.938 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.276 -0.869 . . . . 1.77 111.137 -172.557 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.248 -0.649 . . . . 3.25 109.248 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 850' ' ' ASN . 2.4 mm -81.04 138.42 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.681 0.753 . . . . 1.4399999999999999 110.47 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 30.7 t80 -126.87 145.45 50.65 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.415 -1.698 . . . . 0.59999999999999998 106.415 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 24.4 m -125.87 131.15 52.43 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.794 -0.762 . . . . 2.0600000000000001 110.446 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.431 HD21 ' CZ3' ' A' ' 789' ' ' TRP . 44.2 tp -150.42 146.87 26.94 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.486 -1.234 . . . . 1.4399999999999999 109.502 -171.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.39 120.26 29.37 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.171 -0.677 . . . . 2.0699999999999998 109.171 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.643 HG11 ' CE3' ' A' ' 789' ' ' TRP . 4.0 t -65.75 101.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.616 -1.175 . . . . 1.8 111.157 -170.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.1 -46.75 64.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.841 -1.072 . . . . 3.0600000000000001 112.507 -170.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 20.8 pttp -141.51 49.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.592 -0.443 . . . . 2.3900000000000001 111.592 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.769 HG11 ' HD2' ' A' ' 838' ' ' LYS . 53.8 t 70.04 -55.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.057 -0.519 . . . . 1.75 111.996 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.643 ' CE3' HG11 ' A' ' 785' ' ' VAL . 43.9 m0 71.09 137.0 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.568 0.699 . . . . 1.24 112.128 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.16 36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.941 -0.572 . . . . 2.4300000000000002 109.847 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.546 ' HD1' HD22 ' A' ' 794' ' ' LEU . 17.5 t80 71.18 -47.09 0.65 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.751 0.82 . . . . 0.60999999999999999 111.095 -176.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 796' ' ' MET . 44.3 m-20 -60.12 -41.09 91.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 1.8600000000000001 110.337 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 789' ' ' TRP . 2.5 m-20 -63.75 -43.4 96.54 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.487 0.661 . . . . 1.3600000000000001 109.848 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.546 HD22 ' HD1' ' A' ' 791' ' ' PHE . 7.3 tp -61.11 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 1.0900000000000001 110.165 178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.568 HG23 ' HD3' ' A' ' 812' ' ' PRO . 23.3 mm -57.25 -48.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 1.26 111.01 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 23.0 mmt -64.03 -43.18 96.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 3.2200000000000002 111.213 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.19 82.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.578 -0.283 . . . . 1.0900000000000001 110.393 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.591 ' O ' HG13 ' A' ' 802' ' ' ILE . 76.5 mt -59.93 -51.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 1.3600000000000001 110.469 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.456 HD21 ' HA ' ' A' ' 799' ' ' ASN . 0.1 OUTLIER -56.0 -51.33 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.058 -0.519 . . . . 1.21 112.101 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.9 t -63.48 -44.71 93.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.457 . . . . 1.8400000000000001 110.396 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -68.16 -37.03 80.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.61 . . . . 2.5 111.715 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 798' ' ' ILE . 31.7 mt . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 120.586 0.232 . . . . 1.5600000000000001 110.406 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.568 ' HD3' HG23 ' A' ' 795' ' ' ILE . 9.7 Cg_exo . . . . . 0 CA--C 1.52 -0.217 0 N-CA-C 112.49 0.15 . . . . 0.96999999999999997 112.49 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.496 ' O ' HG21 ' A' ' 816' ' ' ILE . 50.3 mm 68.59 108.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 O-C-N 123.974 0.796 . . . . 2.0600000000000001 109.574 -175.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -17.49 63.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.244 -0.434 . . . . 2.4500000000000002 111.553 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 46.86 1.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.024 -0.535 . . . . 2.9399999999999999 110.187 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.513 ' O ' HG21 ' A' ' 827' ' ' VAL . 1.4 pt -87.36 153.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.452 0.644 . . . . 1.7 110.311 177.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 57.1 mttt -127.53 147.0 50.33 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.898 -1.046 . . . . 1.96 108.807 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.636 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 2.8 p90 -125.29 143.52 50.92 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.604 0.716 . . . . 0.94999999999999996 109.486 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 1.006 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 41.5 tt0 -128.54 147.31 50.69 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 113.547 -1.661 . . . . 1.3100000000000001 109.081 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.653 ' HB2' ' HE2' ' A' ' 840' ' ' MET . 3.7 t70 -124.46 145.77 49.32 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.843 -0.799 . . . . 1.73 108.843 -175.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 44.2 tt0 -42.09 -34.71 0.77 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.103 0.877 . . . . 3.3799999999999999 112.505 -172.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.72 -35.42 63.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.24 0.543 . . . . 5.6299999999999999 110.997 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 111.46 54.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.625 -0.99 . . . . 1.3899999999999999 110.625 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.567 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 29.2 t70 -128.11 145.71 50.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.278 . . . . 1.47 110.478 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.425 ' HE1' ' HB2' ' A' ' 852' ' ' ARG . 2.7 m-85 -126.4 129.96 49.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.248 0.547 . . . . 1.54 110.504 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.636 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 52.6 t -145.27 148.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 114.928 -1.033 . . . . 2.0 108.613 -177.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 816' ' ' ILE . 8.2 p -123.22 127.87 74.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.678 -0.86 . . . . 1.8400000000000001 108.678 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.502 ' C ' HD12 ' A' ' 828' ' ' LEU . 2.8 pp -128.6 164.12 23.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.008 -0.996 . . . . 1.72 112.277 -166.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 175.39 39.53 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.217 -0.901 . . . . 1.2 112.325 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 33.9 t -143.71 -84.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.966 -0.294 . . . . 2.0899999999999999 110.947 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 26.5 t0 179.9 -49.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.733 -0.469 . . . . 1.79 109.733 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.19 -37.47 77.47 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.685 -0.689 . . . . 2.9300000000000002 111.338 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 836' ' ' VAL . 1.3 p30 -61.21 -46.16 91.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.441 -0.799 . . . . 2.1400000000000001 110.686 176.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.609 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.1 t-105 -65.54 -41.07 93.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.623 . . . . 0.28999999999999998 110.244 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.432 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 26.5 t-20 -56.39 -48.06 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 2.6699999999999999 111.139 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 833' ' ' ASP . 32.8 m -65.08 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.677 -0.409 . . . . 2.0499999999999998 111.002 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.18 90.69 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.768 -0.373 . . . . 1.04 110.48 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.769 ' HD2' HG11 ' A' ' 788' ' ' VAL . 51.4 mtmt -59.57 -45.96 90.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 1.8700000000000001 111.069 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -57.83 -47.32 83.0 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.898 -0.408 . . . . 2.2200000000000002 109.898 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.653 ' HE2' ' HB2' ' A' ' 820' ' ' ASP . 39.3 ttp -51.15 -57.27 9.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 1.0600000000000001 111.188 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.01 -57.38 13.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 1.3 111.839 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.63 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.711 0.634 . . . . 1.1499999999999999 112.711 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.96 -48.87 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.074 -0.25 . . . . 2.9199999999999999 110.721 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.699 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.9 m120 -69.1 -58.24 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.461 -0.496 . . . . 1.6000000000000001 111.03 -177.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.699 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 2.9 p30 153.12 -29.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.907 0.883 . . . . 1.8999999999999999 109.989 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -66.5 163.63 18.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.469 0.652 . . . . 2.9700000000000002 112.416 -170.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.569 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 75.8 tttt -146.59 -11.88 0.46 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.275 -0.875 . . . . 2.8599999999999999 110.55 -175.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.447 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 6.5 t80 -67.31 123.89 21.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.052 -0.351 . . . . 0.65000000000000002 110.052 178.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 819' ' ' GLN . 20.4 tp -129.61 139.95 51.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.565 -0.743 . . . . 1.29 109.57 178.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 1.006 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.5 m-80 -128.36 146.36 50.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.384 -0.969 . . . . 0.95999999999999996 108.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -126.59 124.12 64.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 109.41 -0.589 . . . . 1.1000000000000001 109.41 -174.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.651 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -99.17 119.49 37.95 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 120.75 -0.38 . . . . 2.77 110.915 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 853' ' ' LEU . 2.6 mm? -93.21 140.67 29.28 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.082 -1.451 . . . . 2.1299999999999999 107.082 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.525 ' HD2' ' HD3' ' A' ' 852' ' ' ARG . 23.4 p90 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.996 -0.526 . . . . 1.77 110.648 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 122.383 1.087 . . . . 3.25 110.604 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 171.73 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 CA-C-N 112.863 -1.971 . . . . 1.4399999999999999 108.779 -177.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.543 ' HD2' HG13 ' A' ' 851' ' ' ILE . 13.1 t80 -149.28 145.62 27.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.092 -1.447 . . . . 0.59999999999999998 107.092 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 86.2 m -126.39 127.19 45.08 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.215 0.531 . . . . 2.0600000000000001 109.97 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.93 146.56 27.13 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.033 -1.44 . . . . 1.4399999999999999 109.683 -166.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.4 mp -126.76 121.38 31.81 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.676 -0.861 . . . . 2.0699999999999998 108.676 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.802 HG21 ' CE3' ' A' ' 789' ' ' TRP . 4.5 p -67.14 112.27 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.735 -0.666 . . . . 1.8 110.44 -172.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.41 -49.33 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.878 -1.056 . . . . 3.0600000000000001 112.392 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 788' ' ' VAL . 0.0 OUTLIER -126.71 45.13 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.93 -0.308 . . . . 2.3900000000000001 110.934 -177.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.492 HG21 ' HZ2' ' A' ' 838' ' ' LYS . 0.3 OUTLIER 71.39 -41.73 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 123.886 0.874 . . . . 1.75 112.556 177.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.802 ' CE3' HG21 ' A' ' 785' ' ' VAL . 53.5 m0 61.02 115.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.311 0.856 . . . . 1.24 113.311 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -84.25 44.94 1.06 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.511 -0.768 . . . . 2.4300000000000002 110.483 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.471 ' HB2' ' HD1' ' A' ' 834' ' ' TRP . 46.8 t80 68.77 -54.22 0.55 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.164 0.986 . . . . 0.60999999999999999 112.365 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.28 -37.53 75.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.453 0.644 . . . . 1.8600000000000001 109.702 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -64.48 -46.44 82.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.744 -1.117 . . . . 1.3600000000000001 110.205 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.568 HD11 HD12 ' A' ' 798' ' ' ILE . 3.4 tp -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.976 -1.011 . . . . 1.0900000000000001 110.331 177.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.58 -53.52 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 1.26 111.758 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -62.43 -36.26 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.135 -0.226 . . . . 3.2200000000000002 110.651 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.31 90.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.377 -0.374 . . . . 1.0900000000000001 110.274 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.568 HD12 HD11 ' A' ' 794' ' ' LEU . 69.9 mt -59.98 -49.11 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.743 -0.662 . . . . 1.3600000000000001 110.748 175.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -57.61 -48.28 79.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 1.21 111.45 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 33.6 m -68.2 -43.87 77.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.206 -0.452 . . . . 1.8400000000000001 111.24 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 44.8 tttm -68.26 -47.37 67.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.5 111.541 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.237 0.402 0 CA-C-O 121.595 0.712 . . . . 1.5600000000000001 110.312 177.548 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.476 ' C ' ' H ' ' A' ' 814' ' ' THR . 4.0 Cg_exo . . . . . 0 N--CA 1.459 -0.504 0 CA-C-O 120.721 0.217 . . . . 0.96999999999999997 111.971 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.517 ' C ' ' H ' ' A' ' 815' ' ' LYS . 17.1 mm 73.07 -18.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.515 0.726 . . . . 2.0600000000000001 111.611 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 812' ' ' PRO . 13.3 p 71.8 -17.99 0.32 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.654 1.181 . . . . 2.4500000000000002 110.75 -173.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.771 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.7 mmpt? -84.84 44.13 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 2.9399999999999999 111.038 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.469 HG13 HD12 ' A' ' 828' ' ' LEU . 23.7 pt -80.66 142.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.252 1.025 . . . . 1.7 111.657 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.666 ' HG3' HG22 ' A' ' 827' ' ' VAL . 39.3 ttmt -126.62 143.37 51.24 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.702 -1.59 . . . . 1.96 106.767 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.653 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.6 p90 -126.28 145.3 50.47 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.714 0.769 . . . . 0.94999999999999996 110.166 -172.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.31 147.71 50.63 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.76 -1.564 . . . . 1.3100000000000001 108.663 -173.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -123.95 145.33 49.23 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.427 -0.583 . . . . 1.73 109.427 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.776 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.0 tp10 -44.84 -35.74 2.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.65 -1.159 . . . . 3.3799999999999999 111.783 -172.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -53.21 -48.59 68.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.729 -0.669 . . . . 5.6299999999999999 110.262 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 131.85 54.21 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.893 -0.67 . . . . 1.3899999999999999 111.986 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 32.9 t70 -141.94 148.11 38.12 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.712 -0.395 . . . . 1.47 111.7 -171.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 9.3 m-85 -124.04 127.7 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.729 0.776 . . . . 1.54 110.268 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.653 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 38.4 t -138.27 149.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 114.153 -1.385 . . . . 2.0 108.748 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.666 HG22 ' HG3' ' A' ' 817' ' ' LYS . 46.2 t -122.51 134.08 66.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.653 -0.869 . . . . 1.8400000000000001 108.653 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.9 pp -128.29 150.36 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.357 0.598 . . . . 1.72 112.071 -169.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 170.63 40.08 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.829 -1.078 . . . . 1.2 111.209 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 12.1 t -167.96 37.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.415 0.15 . . . . 2.0899999999999999 110.793 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 65.87 -61.04 0.28 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.549 0.944 . . . . 1.79 113.549 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -57.11 -43.46 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.523 0.564 . . . . 2.9300000000000002 112.523 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.484 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.3 OUTLIER -57.9 -49.63 76.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.126 0.489 . . . . 2.1400000000000001 110.592 -176.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.554 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 9.5 t-105 -63.94 -39.76 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.28999999999999998 110.413 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.35 -45.25 76.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.623 -0.262 . . . . 2.6699999999999999 110.763 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.92 -46.26 91.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.094 -0.503 . . . . 2.0499999999999998 110.965 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.631 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.13 -48.2 82.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.453 -0.34 . . . . 1.04 110.99 177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 15.6 mtpp -56.69 -49.62 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 1.8700000000000001 111.636 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.26 -41.16 88.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.075 0.464 . . . . 2.2200000000000002 110.28 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.92 -54.8 42.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.653 -0.703 . . . . 1.0600000000000001 110.807 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 17.8 mt -58.88 -58.43 8.66 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.687 -0.688 . . . . 1.3 111.486 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.76 73.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.273 -0.876 . . . . 1.1499999999999999 112.53 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.27 -48.8 64.07 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.951 0.352 . . . . 2.9199999999999999 111.951 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 4.6 m120 -68.68 -58.49 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.6000000000000001 111.664 -174.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 17.1 p30 148.85 -25.95 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.532 1.133 . . . . 1.8999999999999999 108.321 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.56 147.78 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.03 -1.441 . . . . 2.9700000000000002 111.494 -174.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -144.4 -24.2 0.53 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.217 -0.447 . . . . 2.8599999999999999 110.961 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.776 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.5 t80 -62.27 124.14 20.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.825 0.345 . . . . 0.65000000000000002 110.238 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 818' ' ' TYR . 15.8 tp -132.37 140.62 48.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.614 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.931 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -128.56 145.33 51.16 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.487 -0.931 . . . . 0.95999999999999996 108.487 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.1 mm -127.39 124.29 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 1.1000000000000001 110.104 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -106.25 125.99 51.67 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 116.382 -0.372 . . . . 2.77 110.245 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 853' ' ' LEU . 7.6 mp -107.06 -9.04 16.31 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.791 -0.364 . . . . 2.1299999999999999 110.223 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.437 -1.256 . . . . 1.77 112.914 173.384 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.372 -0.603 . . . . 3.25 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -86.28 136.68 22.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 109.233 -0.654 . . . . 1.4399999999999999 109.233 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.505 ' HE2' ' HA ' ' A' ' 798' ' ' ILE . 18.5 t80 -127.25 144.66 51.0 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.485 -0.932 . . . . 0.59999999999999998 108.485 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 850' ' ' ASN . 56.5 p -127.16 130.1 49.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.133 0.492 . . . . 2.0600000000000001 109.878 -171.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.2 tp -149.61 145.66 26.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.339 -0.846 . . . . 1.4399999999999999 109.445 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.82 122.13 31.9 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.809 -0.812 . . . . 2.0699999999999998 108.809 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.458 ' HA ' ' CH2' ' A' ' 789' ' ' TRP . 2.8 m -68.29 123.82 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 1.8 110.183 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.49 -37.22 85.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 3.0600000000000001 111.51 -172.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.835 ' HD2' ' H ' ' A' ' 788' ' ' VAL . 0.0 OUTLIER -152.31 -55.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 2.3900000000000001 111.589 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.835 ' H ' ' HD2' ' A' ' 787' ' ' LYS . 48.9 t -149.06 -66.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.83 -0.168 . . . . 1.75 110.77 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 788' ' ' VAL . 51.5 m0 74.52 127.97 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.749 0.656 . . . . 1.24 110.886 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 39.3 t30 -70.27 -45.81 65.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.637 0.732 . . . . 2.4300000000000002 110.126 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 160.74 -43.56 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.066 -1.879 . . . . 0.60999999999999999 108.245 177.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.44 -41.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.369 -0.832 . . . . 1.8600000000000001 109.496 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.65 -46.53 84.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.997 -1.001 . . . . 1.3600000000000001 109.983 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.708 HD11 HD13 ' A' ' 798' ' ' ILE . 5.6 tp -64.25 -46.56 83.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.414 -1.266 . . . . 1.0900000000000001 111.128 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.77 -44.05 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.601 -0.272 . . . . 1.26 111.292 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.6 mmt -63.66 -41.97 98.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.475 -0.329 . . . . 3.2200000000000002 111.329 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.3 93.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.962 0.41 . . . . 1.0900000000000001 110.121 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 794' ' ' LEU . 68.8 mt -57.35 -52.79 52.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.401 -0.818 . . . . 1.3600000000000001 110.62 175.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.451 HD21 ' HA ' ' A' ' 799' ' ' ASN . 2.2 m120 -61.64 -37.09 82.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 1.21 111.854 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 36.4 t -58.67 -52.03 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.869 0.366 . . . . 1.8400000000000001 110.582 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 68.3 mttm -68.99 -39.0 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.459 -0.337 . . . . 2.5 111.851 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 798' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 121.025 -0.27 . . . . 1.5600000000000001 110.891 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.2 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 CA-C-O 120.688 0.203 . . . . 0.96999999999999997 111.705 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 813' ' ' ILE . 27.0 mm 68.87 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.438 0.695 . . . . 2.0600000000000001 111.252 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.498 ' H ' ' C ' ' A' ' 812' ' ' PRO . 82.5 p 67.11 -33.29 0.21 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.503 1.521 . . . . 2.4500000000000002 112.534 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER -79.37 54.22 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.843 0.354 . . . . 2.9399999999999999 110.711 175.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.508 ' O ' HG21 ' A' ' 827' ' ' VAL . 42.3 pt -76.55 143.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.7 111.393 -177.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.63 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 27.0 ttpt -127.23 141.27 51.77 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.773 -1.195 . . . . 1.96 107.773 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 20.5 p90 -127.69 146.61 50.51 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.669 0.747 . . . . 0.94999999999999996 111.466 -167.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.989 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.5 tt0 -127.58 145.63 50.8 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.625 -1.171 . . . . 1.3100000000000001 109.867 -176.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.3 p30 -126.04 140.47 52.57 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.09 -0.505 . . . . 1.73 109.683 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.685 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 43.2 mt-10 59.5 24.15 12.83 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.451 -0.795 . . . . 3.3799999999999999 110.736 -175.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.482 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 2.8 p30 41.9 41.86 2.04 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.327 -0.851 . . . . 5.6299999999999999 112.452 -176.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -137.53 -30.52 0.25 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.102 -1.047 . . . . 1.3899999999999999 114.297 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -127.68 146.64 50.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.555 0.677 . . . . 1.47 110.792 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.621 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.54 131.88 53.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.465 0.65 . . . . 1.54 110.846 -172.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.645 HG12 ' CZ ' ' A' ' 818' ' ' TYR . 1.2 p -150.15 148.56 15.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.139 -1.391 . . . . 2.0 108.775 -172.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.63 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.5 p -122.77 142.76 38.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.263 -0.898 . . . . 1.8400000000000001 110.75 -168.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 3.7 pp -128.07 149.21 50.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.314 -0.857 . . . . 1.72 111.497 -168.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.91 35.15 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.718 -0.753 . . . . 1.2 112.533 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.3 p -157.97 36.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.563 0.221 . . . . 2.0899999999999999 111.369 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 67.37 -59.88 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.487 0.921 . . . . 1.79 113.487 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.02 -29.51 68.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.637 0.256 . . . . 2.9300000000000002 111.596 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.732 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 6.0 m-20 -57.66 -43.07 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 2.1400000000000001 110.065 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.555 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 17.8 t-105 -68.16 -40.3 82.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.28999999999999998 110.585 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 838' ' ' LYS . 92.0 m-20 -57.98 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 2.6699999999999999 110.886 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.1 -36.73 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.283 -0.417 . . . . 2.0499999999999998 111.142 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.27 -49.01 79.32 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.005 -0.278 . . . . 1.04 111.376 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 31.5 mtmm -58.69 -51.46 69.83 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.8 0.333 . . . . 1.8700000000000001 110.712 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.56 87.6 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.703 -0.68 . . . . 2.2200000000000002 110.57 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 41.0 ttp -54.37 -50.35 67.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 1.0600000000000001 111.087 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.607 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 34.9 mt -59.39 -57.62 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.971 0.415 . . . . 1.3 111.087 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.07 81.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.763 -0.653 . . . . 1.1499999999999999 112.411 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.83 -47.53 74.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.524 -0.307 . . . . 2.9199999999999999 111.245 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.564 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.4 m120 -68.53 -58.3 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 119.5 -0.286 . . . . 1.6000000000000001 111.393 -176.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 15.8 p30 161.76 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.757 0.661 . . . . 1.8999999999999999 111.086 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.711 ' HG3' ' H ' ' A' ' 847' ' ' LYS . 5.9 tp10 -82.59 -158.65 0.27 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.286 0.565 . . . . 2.9700000000000002 111.662 -169.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.711 ' H ' ' HG3' ' A' ' 846' ' ' GLU . 0.1 OUTLIER -176.06 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.406 -0.816 . . . . 2.8599999999999999 108.816 -178.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -55.48 131.9 47.16 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.343 -0.844 . . . . 0.65000000000000002 111.143 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.635 HD12 ' HD2' ' A' ' 818' ' ' TYR . 14.6 tp -128.49 145.23 51.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.422 -0.808 . . . . 1.29 110.084 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.989 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.5 m-80 -128.37 145.54 51.04 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.281 -1.007 . . . . 0.95999999999999996 108.281 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -127.61 130.32 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 C-N-CA 120.749 -0.38 . . . . 1.1000000000000001 110.121 -174.407 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.403 ' CB ' ' HE2' ' A' ' 825' ' ' PHE . 66.7 ttt180 -107.95 129.68 55.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.149 -0.478 . . . . 2.77 109.893 171.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.05 133.43 40.3 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.386 -0.968 . . . . 2.1299999999999999 108.386 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 813' ' ' ILE . 11.5 p90 . . . . . 0 C--O 1.244 0.781 0 CA-C-O 118.163 -0.923 . . . . 1.77 110.068 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.092 -0.336 . . . . 3.25 110.092 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -97.92 138.49 22.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.365 0.602 . . . . 1.4399999999999999 110.636 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.531 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.8 t80 -128.32 145.71 50.98 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.069 -1.085 . . . . 0.59999999999999998 108.069 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.448 HG23 ' OD1' ' A' ' 850' ' ' ASN . 12.8 p -126.56 126.39 43.58 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.794 -0.447 . . . . 2.0600000000000001 109.794 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 19.7 tp -150.1 146.21 26.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.224 -0.898 . . . . 1.4399999999999999 109.115 -171.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.5 122.5 35.36 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.251 -0.579 . . . . 2.0699999999999998 109.684 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.637 HG12 ' HH2' ' A' ' 834' ' ' TRP . 22.3 m -70.81 69.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 1.8 111.617 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -50.09 -50.44 48.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.077 -0.965 . . . . 3.0600000000000001 110.689 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -113.17 149.41 33.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.329 -0.989 . . . . 2.3900000000000001 108.329 171.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 838' ' ' LYS . 58.1 t -64.41 88.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.296 0.57 . . . . 1.75 110.756 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.543 ' CE3' HG11 ' A' ' 785' ' ' VAL . 26.5 m0 -65.3 135.93 55.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.149 -0.932 . . . . 1.24 111.944 -174.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.76 42.75 0.8 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 2.4300000000000002 110.532 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.485 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 30.5 t80 67.47 -50.8 0.5 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.219 1.008 . . . . 0.60999999999999999 112.418 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -60.17 -42.03 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.947 0.403 . . . . 1.8600000000000001 110.419 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 2.9 m-20 -62.28 -41.96 98.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.644 0.735 . . . . 1.3600000000000001 110.147 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 798' ' ' ILE . 7.8 tp -63.11 -44.67 95.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.577 -1.192 . . . . 1.0900000000000001 110.454 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.0 mm -59.34 -45.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 1.26 111.129 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.461 ' HB3' ' HE2' ' A' ' 796' ' ' MET . 85.1 mtp -59.8 -43.91 94.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.393 -0.367 . . . . 3.2200000000000002 111.024 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.47 97.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.899 0.381 . . . . 1.0900000000000001 110.758 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.491 ' HA ' ' CE2' ' A' ' 781' ' ' PHE . 81.2 mt -59.15 -52.3 62.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.653 -0.703 . . . . 1.3600000000000001 110.574 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.42 HD21 ' HA ' ' A' ' 799' ' ' ASN . 4.9 m120 -58.31 -49.3 77.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.581 -0.736 . . . . 1.21 111.926 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.0 p -62.26 -47.87 82.42 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.196 0.443 . . . . 1.8400000000000001 112.196 -176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.27 -41.82 80.48 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.05 0.389 . . . . 2.5 112.05 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 111.855 0.317 . . . . 1.5600000000000001 111.855 -176.159 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.46 -0.447 0 N-CA-C 110.798 -0.501 . . . . 0.96999999999999997 110.798 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.614 HG22 HG21 ' A' ' 814' ' ' THR . 47.1 mm 72.53 -61.61 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 114.0 -1.455 . . . . 2.0600000000000001 109.008 -169.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.614 HG21 HG22 ' A' ' 813' ' ' ILE . 4.0 t 159.34 -33.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.383 -1.28 . . . . 2.4500000000000002 107.584 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.702 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.4 mmpt? -79.81 127.22 31.96 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.202 -1.363 . . . . 2.9399999999999999 111.053 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.5 150.16 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.867 0.841 . . . . 1.7 111.452 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 1.088 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.1 mttp -127.72 147.07 50.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.215 -1.357 . . . . 1.96 108.465 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 6.2 p90 -126.91 144.67 50.93 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.334 0.588 . . . . 0.94999999999999996 109.979 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.924 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.2 tt0 -128.66 145.85 51.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.313 -0.858 . . . . 1.3100000000000001 110.035 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.717 ' HB2' ' HE2' ' A' ' 840' ' ' MET . 0.8 OUTLIER -125.62 139.1 53.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.114 -0.493 . . . . 1.73 110.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 62.63 16.92 9.26 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.061 0.851 . . . . 3.3799999999999999 110.396 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 28.1 t70 50.59 47.51 24.13 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.15 -0.932 . . . . 5.6299999999999999 110.953 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -150.77 -29.72 0.05 OUTLIER Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.219 -0.991 . . . . 1.3899999999999999 113.804 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -127.38 146.9 50.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.325 0.562 . . . . 1.47 109.988 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -124.67 130.5 52.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.793 0.806 . . . . 1.54 111.199 -171.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.01 150.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.112 -1.404 . . . . 2.0 108.138 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.536 ' CG2' ' HG2' ' A' ' 817' ' ' LYS . 21.5 t -122.9 129.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.387 -0.597 . . . . 1.8400000000000001 109.387 -170.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.62 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 0.0 OUTLIER -128.91 151.47 49.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.46 0.648 . . . . 1.72 111.471 -173.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -163.41 -35.96 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.025 0 CA-C-N 114.953 -1.021 . . . . 1.2 111.22 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.5 t -75.48 -77.35 0.13 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.74 -0.23 . . . . 2.0899999999999999 110.66 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -178.41 -51.12 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.818 0.342 . . . . 1.79 110.608 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.624 ' HA ' HD21 ' A' ' 835' ' ' ASN . 23.7 pt-20 -53.91 -39.73 66.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.722 0.638 . . . . 2.9300000000000002 112.722 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.4 OUTLIER -59.55 -38.7 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.327 0.584 . . . . 2.1400000000000001 110.387 -175.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.637 ' HH2' HG12 ' A' ' 785' ' ' VAL . 39.7 t-105 -68.25 -39.06 82.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.489 . . . . 0.28999999999999998 110.517 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.624 HD21 ' HA ' ' A' ' 832' ' ' GLU . 79.4 m-20 -61.29 -47.8 84.33 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.649 -0.251 . . . . 2.6699999999999999 110.608 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 833' ' ' ASP . 10.5 m -62.4 -36.38 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 2.0499999999999998 110.232 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -59.36 -51.99 67.55 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 121.245 -0.182 . . . . 1.04 111.426 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.512 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 32.6 mtmm -57.11 -47.63 80.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.593 -0.276 . . . . 1.8700000000000001 110.666 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.15 -48.69 78.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.342 0.592 . . . . 2.2200000000000002 110.2 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.717 ' HE2' ' HB2' ' A' ' 820' ' ' ASP . 37.7 ttp -52.83 -52.93 55.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.803 -1.09 . . . . 1.0600000000000001 111.392 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.62 HD12 HG23 ' A' ' 785' ' ' VAL . 20.2 mt -58.21 -54.69 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.395 -0.366 . . . . 1.3 111.205 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.81 93.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.151 0.426 . . . . 1.1499999999999999 112.151 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.36 -47.41 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 2.9199999999999999 110.833 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 25.6 m-80 -62.66 -35.25 79.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 1.6000000000000001 111.271 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 97.38 -7.55 0.06 Allowed 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.787 1.304 . . . . 1.8999999999999999 109.7 -176.109 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -77.55 162.0 27.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.37 -0.832 . . . . 2.9700000000000002 110.774 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -151.6 3.47 0.41 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.899 -0.591 . . . . 2.8599999999999999 110.147 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.29 124.82 28.52 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.618 -0.512 . . . . 0.65000000000000002 109.618 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 819' ' ' GLN . 19.1 tp -128.58 143.84 51.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.547 0.689 . . . . 1.29 109.941 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.924 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.4 m-80 -128.43 145.34 51.12 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.028 -1.101 . . . . 0.95999999999999996 108.028 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.43 130.65 70.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.283 -0.636 . . . . 1.1000000000000001 109.283 -174.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 1.088 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 1.9 ttm180 -100.39 136.31 40.47 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 120.453 -0.499 . . . . 2.77 111.361 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 852' ' ' ARG . 2.0 mm? -111.19 136.08 50.79 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.904 -1.044 . . . . 2.1299999999999999 108.829 167.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.648 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 48.4 p90 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.944 -1.027 . . . . 1.77 109.397 -170.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.427 ' OE2' ' HB2' ' A' ' 853' ' ' LEU . 17.4 pm0 . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.088 0.47 . . . . 3.25 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 850' ' ' ASN . 9.0 tp -95.13 140.82 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.192 -0.913 . . . . 1.4399999999999999 110.403 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.483 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.2 t80 -127.28 145.39 50.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.057 -0.974 . . . . 0.59999999999999998 108.643 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.8 t -126.75 129.19 47.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.124 0.488 . . . . 2.0600000000000001 110.153 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 783' ' ' LEU . 21.8 tp -150.52 146.41 26.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.24 -1.346 . . . . 1.4399999999999999 109.61 -169.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.43 123.7 38.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 2.0699999999999998 109.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.649 HG12 ' HH2' ' A' ' 834' ' ' TRP . 14.6 m -68.66 133.98 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.933 -1.031 . . . . 1.8 112.011 -169.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -85.94 -126.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.447 -0.797 . . . . 3.0600000000000001 111.258 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -71.26 51.91 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.448 -0.796 . . . . 2.3900000000000001 112.529 -177.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 25.6 t 60.99 80.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.481 0.657 . . . . 1.75 110.862 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.42 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 38.9 m0 -63.01 129.82 42.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.318 -0.855 . . . . 1.24 111.546 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.52 43.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.538 -0.301 . . . . 2.4300000000000002 110.805 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 35.8 t80 69.83 -53.17 0.62 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.853 0.861 . . . . 0.60999999999999999 111.766 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.11 -41.18 97.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.302 . . . . 1.8600000000000001 110.36 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.13 -43.66 95.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.523 0.678 . . . . 1.3600000000000001 110.004 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.725 HD12 HD12 ' A' ' 798' ' ' ILE . 4.3 tp -64.49 -45.68 86.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.576 -1.193 . . . . 1.0900000000000001 110.642 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.52 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.56 -0.291 . . . . 1.26 111.18 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.12 -44.91 94.54 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.741 0.305 . . . . 3.2200000000000002 110.76 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.09 91.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.869 -0.605 . . . . 1.0900000000000001 110.256 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.725 HD12 HD12 ' A' ' 794' ' ' LEU . 76.7 mt -58.95 -52.88 55.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.414 -0.812 . . . . 1.3600000000000001 110.748 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.454 HD22 ' HD3' ' A' ' 812' ' ' PRO . 4.7 m120 -52.4 -45.23 65.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.997 -177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 32.9 t -65.48 -50.46 65.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.962 0.41 . . . . 1.8400000000000001 110.851 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -67.95 -36.36 79.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.247 0.832 . . . . 2.5 113.247 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 798' ' ' ILE . 31.6 mm . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.986 0.365 . . . . 1.5600000000000001 111.986 -174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.576 ' HA ' HD22 ' A' ' 853' ' ' LEU . 3.9 Cg_exo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 110.396 -0.656 . . . . 0.96999999999999997 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 814' ' ' THR . 50.5 mm 70.3 -74.42 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 114.183 -1.371 . . . . 2.0600000000000001 108.992 -169.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 813' ' ' ILE . 9.1 t 149.69 -24.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.884 1.274 . . . . 2.4500000000000002 108.209 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.601 ' HE3' ' HA ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -66.74 -54.48 22.46 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 114.636 -1.165 . . . . 2.9399999999999999 111.34 -177.024 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.7 pt 47.03 133.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.017 1.858 . . . . 1.7 116.017 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.762 ' HE2' HG22 ' A' ' 827' ' ' VAL . 82.4 mttt -127.61 147.03 50.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.035 -1.893 . . . . 1.96 108.548 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.57 ' CD2' HD21 ' A' ' 828' ' ' LEU . 3.0 p90 -126.2 144.99 50.56 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.351 -0.611 . . . . 0.94999999999999996 109.351 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.8 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.6 tt0 -128.12 145.45 51.01 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.94 -1.027 . . . . 1.3100000000000001 109.675 -174.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.52 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 11.7 p-10 -125.74 136.87 53.65 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-N 116.023 -0.535 . . . . 1.73 110.084 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 56.96 23.96 8.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.388 -1.278 . . . . 3.3799999999999999 111.271 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.483 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.3 t0 48.8 58.64 5.09 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.681 -0.69 . . . . 5.6299999999999999 110.758 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -164.01 -29.4 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.912 -1.137 . . . . 1.3899999999999999 113.737 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.41 145.86 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.569 -0.53 . . . . 1.47 109.569 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.8 OUTLIER -125.79 136.82 53.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.943 0.877 . . . . 1.54 111.599 -172.085 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.554 HG11 ' N ' ' A' ' 827' ' ' VAL . 50.9 t -140.2 150.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 113.925 -1.489 . . . . 2.0 108.26 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.762 HG22 ' HE2' ' A' ' 817' ' ' LYS . 15.8 t -121.98 132.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.28 -1.008 . . . . 1.8400000000000001 108.28 -171.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 818' ' ' TYR . 2.1 pp -128.45 151.33 49.51 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.765 -0.774 . . . . 1.72 112.742 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 172.54 26.6 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.796 -1.093 . . . . 1.2 112.219 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -143.16 19.75 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.893 0.346 . . . . 2.0899999999999999 110.881 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.8 t70 70.79 -52.67 0.67 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.509 0.724 . . . . 1.79 112.155 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.14 -42.08 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.49 . . . . 2.9300000000000002 111.177 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.447 ' O ' HG21 ' A' ' 836' ' ' VAL . 0.5 OUTLIER -58.15 -48.22 80.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.253 -0.885 . . . . 2.1400000000000001 111.067 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.649 ' HH2' HG12 ' A' ' 785' ' ' VAL . 20.3 t-105 -65.35 -37.62 87.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.277 -0.42 . . . . 0.28999999999999998 110.478 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 22.0 t30 -59.76 -50.51 73.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.544 -0.298 . . . . 2.6699999999999999 110.966 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 833' ' ' ASP . 28.6 m -62.79 -36.53 75.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.908 -0.317 . . . . 2.0499999999999998 110.706 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.91 -48.31 82.4 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 121.006 -0.278 . . . . 1.04 110.973 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 30.8 mtmm -56.9 -48.49 78.08 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.535 0.207 . . . . 1.8700000000000001 111.023 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 51.0 mt-10 -59.57 -44.16 93.38 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.152 0.501 . . . . 2.2200000000000002 110.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.52 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 34.9 ttp -56.94 -56.4 22.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.194 -0.912 . . . . 1.0600000000000001 111.192 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.2 mt -54.94 -51.9 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 1.3 110.984 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.42 46.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.556 0.576 . . . . 1.1499999999999999 112.556 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 2.9199999999999999 111.29 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.1 m120 -68.21 -35.27 77.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.036 -0.529 . . . . 1.6000000000000001 110.889 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.37 -14.17 0.14 Allowed 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.348 1.03 . . . . 1.8999999999999999 109.572 -173.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.51 64.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.334 -0.848 . . . . 2.9700000000000002 110.98 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 29.8 ttpt -81.84 30.07 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.491 -0.322 . . . . 2.8599999999999999 111.77 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -91.06 125.42 35.84 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.934 -0.765 . . . . 0.65000000000000002 108.934 173.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 818' ' ' TYR . 33.0 tp -128.0 138.91 52.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.707 0.765 . . . . 1.29 110.552 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.8 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 72.2 m-80 -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.949 -1.023 . . . . 0.95999999999999996 108.916 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.1 OUTLIER -127.15 124.84 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.644 -0.502 . . . . 1.1000000000000001 109.644 -174.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.6 ttm180 -104.23 134.79 46.86 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.719 -0.474 . . . . 2.77 109.719 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.576 HD22 ' HA ' ' A' ' 812' ' ' PRO . 5.5 mp -100.56 -26.54 13.8 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.732 -0.387 . . . . 2.1299999999999999 110.855 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.652 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 6.6 p90 . . . . . 0 C--O 1.252 1.188 0 O-C-N 124.355 1.034 . . . . 1.77 112.815 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 2.3 pm0 . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 120.798 0.333 . . . . 3.25 110.202 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -92.42 138.07 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.638 0.732 . . . . 1.4399999999999999 110.659 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.48 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.5 t80 -128.61 146.73 50.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.215 -1.031 . . . . 0.59999999999999998 108.215 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 80.5 p -125.33 129.25 49.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.009 -0.737 . . . . 2.0600000000000001 109.009 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 41.9 tp -149.72 146.48 27.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.497 -1.228 . . . . 1.4399999999999999 109.461 -169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.68 119.46 27.02 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.849 -0.797 . . . . 2.0699999999999998 108.849 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.721 HG13 ' CE3' ' A' ' 789' ' ' TRP . 20.9 t -62.19 -35.76 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.252 -1.34 . . . . 1.8 111.623 -168.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.725 ' HA ' ' HD2' ' A' ' 847' ' ' LYS . 16.5 tp10 69.39 -59.47 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.229 0.612 . . . . 3.0600000000000001 111.746 175.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.85 139.59 39.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.787 -0.82 . . . . 2.3900000000000001 108.787 175.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.999 HG23 ' HD2' ' A' ' 838' ' ' LYS . 1.4 p -46.74 108.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.608 -0.724 . . . . 1.75 112.41 -174.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.721 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.1 m0 -82.9 142.81 31.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.268 -0.878 . . . . 1.24 110.302 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 47.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.395 . . . . 2.4300000000000002 110.292 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 53.9 t80 65.11 -55.04 0.31 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.222 1.009 . . . . 0.60999999999999999 113.033 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.27 -38.02 85.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.167 0.508 . . . . 1.8600000000000001 110.185 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 30.5 m-20 -62.58 -42.42 99.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 1.3600000000000001 109.591 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 834' ' ' TRP . 8.7 tp -62.49 -45.83 91.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.469 -1.241 . . . . 1.0900000000000001 110.414 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.54 -48.13 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 1.26 111.062 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 83.0 mtp -59.53 -45.01 93.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 -0.263 . . . . 3.2200000000000002 111.161 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.2 87.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 1.0900000000000001 110.383 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 802' ' ' ILE . 69.2 mt -59.66 -50.73 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.908 -0.587 . . . . 1.3600000000000001 110.937 176.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.406 HD22 ' HD3' ' A' ' 812' ' ' PRO . 5.2 m120 -52.21 -52.77 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 1.21 111.82 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.1 m -68.76 -50.85 47.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.557 . . . . 1.8400000000000001 111.869 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 2.5 113.154 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.8 mt . . . . . 0 N--CA 1.468 0.467 0 C-N-CA 120.76 -0.376 . . . . 1.5600000000000001 110.622 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.44 ' HB2' HG23 ' A' ' 816' ' ' ILE . 3.4 Cg_exo . . . . . 0 CA--C 1.511 -0.643 0 N-CA-C 110.749 -0.52 . . . . 0.96999999999999997 110.749 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.915 HG22 HG21 ' A' ' 814' ' ' THR . 1.6 mp 72.1 -67.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 113.251 -1.795 . . . . 2.0600000000000001 107.939 -167.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.915 HG21 HG22 ' A' ' 813' ' ' ILE . 4.1 t 158.27 -30.57 0.0 OUTLIER 'General case' 0 C--O 1.231 0.088 0 CA-C-N 114.915 -1.039 . . . . 2.4500000000000002 108.267 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.77 ' HE3' ' HA ' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -66.61 -64.21 0.9 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.429 -1.26 . . . . 2.9399999999999999 112.23 -173.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.726 HG13 HD11 ' A' ' 828' ' ' LEU . 18.6 pt 53.83 131.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.404 1.482 . . . . 1.7 113.973 -174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.725 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 77.1 tttt -127.7 145.38 50.91 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.01 -1.45 . . . . 1.96 108.291 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 5.7 p90 -126.96 145.9 50.52 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.475 0.655 . . . . 0.94999999999999996 110.427 -174.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 1.018 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -127.96 147.34 50.48 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.486 -1.234 . . . . 1.3100000000000001 108.942 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 840' ' ' MET . 0.0 OUTLIER -124.61 145.67 49.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.708 -0.479 . . . . 1.73 109.708 -172.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.834 ' HB3' ' HB3' ' A' ' 846' ' ' GLU . 6.4 tp10 -41.93 -36.47 1.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.263 -1.335 . . . . 3.3799999999999999 112.561 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -56.08 -33.08 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.058 0.456 . . . . 5.6299999999999999 111.245 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 112.78 58.04 0.43 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.898 -0.668 . . . . 1.3899999999999999 111.531 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 6.9 t70 -147.18 147.07 30.13 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.203 -0.199 . . . . 1.47 110.768 -172.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.725 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 1.8 m-85 -124.44 128.86 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.484 0.659 . . . . 1.54 110.165 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.514 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 82.4 t -142.9 148.85 19.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.362 -1.29 . . . . 2.0 108.612 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 816' ' ' ILE . 7.2 p -122.64 131.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.537 -0.912 . . . . 1.8400000000000001 108.537 -174.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.726 HD11 HG13 ' A' ' 816' ' ' ILE . 0.0 OUTLIER -128.61 149.58 50.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.394 -0.821 . . . . 1.72 113.176 -163.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.59 -26.13 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.224 -1.353 . . . . 1.2 112.104 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 20.5 m -72.73 -7.66 51.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.448 0.536 . . . . 2.0899999999999999 112.448 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.1 t0 64.42 49.37 2.49 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.556 1.169 . . . . 1.79 109.589 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.68 -46.02 0.06 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.838 -1.528 . . . . 2.9300000000000002 107.133 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -56.77 -46.17 81.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.95 -1.932 . . . . 2.1400000000000001 110.602 166.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.526 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 20.3 t-105 -66.41 -41.19 89.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.308 -0.405 . . . . 0.28999999999999998 110.151 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.537 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 46.5 t30 -57.32 -49.66 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 2.6699999999999999 111.322 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 833' ' ' ASP . 14.1 p -63.34 -36.43 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.333 . . . . 2.0499999999999998 110.426 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -58.26 -49.86 75.62 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.015 -0.274 . . . . 1.04 111.116 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.999 ' HD2' HG23 ' A' ' 788' ' ' VAL . 9.3 mtmp? -56.1 -49.39 73.97 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.821 0.343 . . . . 1.8700000000000001 110.751 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 6.0 mm-40 -63.03 -39.72 95.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.736 -0.665 . . . . 2.2200000000000002 110.312 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 44.8 ttp -56.47 -52.4 64.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.363 -0.835 . . . . 1.0600000000000001 110.886 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 6.7 mt -58.67 -48.63 80.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.3 110.662 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.12 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 1.1499999999999999 112.155 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.97 -50.13 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.289 0.566 . . . . 2.9199999999999999 110.205 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.723 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 54.1 m-80 -67.94 -35.82 79.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.537 -0.756 . . . . 1.6000000000000001 111.955 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.71 -12.73 0.17 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.574 1.149 . . . . 1.8999999999999999 109.792 -173.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.834 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 14.0 mt-10 -74.96 73.71 2.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 2.9700000000000002 110.34 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' A' ' 786' ' ' GLU . 38.9 ttpt -74.29 0.23 14.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.968 -1.015 . . . . 2.8599999999999999 111.762 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.526 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.4 t80 -68.39 125.32 26.07 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.086 -0.339 . . . . 0.65000000000000002 110.086 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 818' ' ' TYR . 16.3 tp -128.65 142.61 50.97 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.69 0.757 . . . . 1.29 109.943 177.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 1.018 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.8 m-80 -128.52 146.56 50.79 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.088 -1.079 . . . . 0.95999999999999996 108.088 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.19 124.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 109.119 -0.697 . . . . 1.1000000000000001 109.119 -174.464 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.8 ttm180 -110.9 129.48 55.86 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 120.54 -0.464 . . . . 2.77 110.703 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 1.7 mm? -100.98 134.62 43.7 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.391 -1.337 . . . . 2.1299999999999999 107.391 170.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.721 -0.656 . . . . 1.77 109.815 -174.615 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.976 -0.379 . . . . 3.25 109.976 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.07 136.54 40.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 1.4399999999999999 110.191 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.486 ' HD2' HG13 ' A' ' 851' ' ' ILE . 11.8 t80 -129.05 146.38 51.03 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.671 -0.863 . . . . 0.59999999999999998 108.671 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 21.5 p -125.92 133.67 51.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.882 0.372 . . . . 2.0600000000000001 110.022 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.774 HD12 ' HZ3' ' A' ' 789' ' ' TRP . 2.7 tm? -150.02 145.9 26.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.697 -1.138 . . . . 1.4399999999999999 109.769 -167.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 847' ' ' LYS . 7.4 tt -128.23 121.54 29.61 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.499 -0.926 . . . . 2.0699999999999998 108.499 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.536 HG12 ' HH2' ' A' ' 834' ' ' TRP . 35.1 m -71.12 119.1 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 1.8 110.984 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.48 -48.6 16.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.348 -0.842 . . . . 3.0600000000000001 111.986 -171.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 52.5 pttt -145.45 55.7 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.399 -0.364 . . . . 2.3900000000000001 111.238 -173.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 53.4 t 70.98 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.541 -0.754 . . . . 1.75 111.582 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.774 ' HZ3' HD12 ' A' ' 783' ' ' LEU . 42.8 m0 69.98 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.337 0.655 . . . . 1.24 112.08 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -78.9 38.87 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.536 -0.756 . . . . 2.4300000000000002 111.299 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.464 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.1 t80 71.39 -48.72 0.68 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.68 0.792 . . . . 0.60999999999999999 111.759 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 795' ' ' ILE . 38.3 m-20 -62.11 -40.52 96.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.8600000000000001 110.34 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.87 -37.84 88.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.14 0.495 . . . . 1.3600000000000001 110.379 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.52 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 4.4 tp -66.48 -49.45 66.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.467 -0.788 . . . . 1.0900000000000001 110.704 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.607 HG21 ' O ' ' A' ' 792' ' ' ASP . 9.2 tp -64.9 -36.71 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.626 -0.261 . . . . 1.26 110.98 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.418 ' HB3' ' HE3' ' A' ' 796' ' ' MET . 91.6 mmm -64.34 -42.98 95.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.419 -0.355 . . . . 3.2200000000000002 110.409 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.12 97.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 1.0900000000000001 110.542 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 794' ' ' LEU . 83.9 mt -58.8 -53.51 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 1.3600000000000001 110.752 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . 0.41 HD22 ' HD3' ' A' ' 812' ' ' PRO . 23.2 m-20 -62.83 -36.44 83.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 1.21 111.372 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -47.41 83.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.955 0.407 . . . . 1.8400000000000001 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.67 -43.93 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 2.5 111.664 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 802' ' ' ILE . 53.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.5600000000000001 110.778 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.438 ' C ' ' H ' ' A' ' 814' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.797 0 CA-C-O 120.619 0.174 . . . . 0.96999999999999997 111.967 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 815' ' ' LYS . 42.6 mm 74.19 -18.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.044 0.537 . . . . 2.0600000000000001 112.001 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.438 ' H ' ' C ' ' A' ' 812' ' ' PRO . 25.4 p 72.8 -37.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.016 1.326 . . . . 2.4500000000000002 111.196 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.481 ' HE3' ' N ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -78.54 50.08 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.539 -0.3 . . . . 2.9399999999999999 110.54 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.592 HD13 HD12 ' A' ' 828' ' ' LEU . 42.8 pt -63.73 148.74 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.414 0.626 . . . . 1.7 111.196 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.819 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 28.8 tttp -126.14 142.65 51.43 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.966 -1.494 . . . . 1.96 106.966 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 7.6 p90 -127.04 146.3 50.41 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.335 0.588 . . . . 0.94999999999999996 110.657 -170.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 1.132 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 32.7 tt0 -127.95 148.32 50.51 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.405 -1.271 . . . . 1.3100000000000001 109.336 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -122.46 145.27 48.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.605 -168.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 82.7 tt0 -41.34 -45.82 3.13 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.052 1.341 . . . . 3.3799999999999999 113.671 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -61.96 -37.83 86.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.917 0.389 . . . . 5.6299999999999999 110.769 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 129.02 59.14 0.1 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.737 . . . . 1.3899999999999999 112.286 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 26.2 t70 -134.64 146.46 49.56 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.182 -0.207 . . . . 1.47 110.653 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.31 127.93 46.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 1.54 110.062 -176.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.545 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 58.5 t -144.13 148.89 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.811 -1.086 . . . . 2.0 108.909 -173.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.729 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 13.6 p -123.9 135.79 62.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.449 -0.575 . . . . 1.8400000000000001 109.449 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.592 HD12 HD13 ' A' ' 816' ' ' ILE . 4.6 pp -128.39 145.25 51.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.231 -0.895 . . . . 1.72 111.77 -167.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -177.67 32.56 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.213 -0.903 . . . . 1.2 111.756 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.9 m -153.19 26.62 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.591 0.234 . . . . 2.0899999999999999 110.874 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.25 -45.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.864 1.266 . . . . 1.79 113.773 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.49 -36.76 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.348 0.594 . . . . 2.9300000000000002 111.066 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -66.12 -44.36 84.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.215 -0.902 . . . . 2.1400000000000001 111.531 179.087 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.545 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 27.4 t-105 -66.21 -38.16 87.3 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.527 -0.469 . . . . 0.28999999999999998 109.827 174.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 24.5 t-20 -54.61 -51.77 64.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.813 -0.631 . . . . 2.6699999999999999 110.684 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 833' ' ' ASP . 25.0 m -64.58 -36.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.473 -0.33 . . . . 2.0499999999999998 111.391 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.685 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.41 -48.37 82.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.234 -0.587 . . . . 1.04 110.594 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.545 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 9.0 mtmp? -55.93 -54.23 47.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.65 0.262 . . . . 1.8700000000000001 111.648 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 29.3 mm-40 -59.68 -40.58 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 2.2200000000000002 110.014 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.446 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 36.4 ttp -57.58 -50.1 74.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.041 -0.981 . . . . 1.0600000000000001 110.839 175.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 62.8 mt -61.06 -51.74 67.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 1.3 111.233 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.83 89.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 1.1499999999999999 111.848 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.28 -54.86 14.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 2.9199999999999999 111.24 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.0 m-80 -68.0 -35.8 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 1.6000000000000001 112.396 -176.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.35 -6.23 0.14 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.305 1.042 . . . . 1.8999999999999999 109.68 -174.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.594 ' HG3' ' HB3' ' A' ' 821' ' ' GLU . 30.5 tt0 -65.36 122.34 16.92 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.267 -1.012 . . . . 2.9700000000000002 108.267 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.444 ' HG2' HD22 ' A' ' 784' ' ' LEU . 5.3 ttpm? -143.7 6.2 1.41 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.535 -0.866 . . . . 2.8599999999999999 111.705 -169.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.515 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 22.0 t80 -77.37 125.21 28.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.38 -0.97 . . . . 0.65000000000000002 108.38 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 849' ' ' LEU . 16.9 tp -128.07 140.66 51.82 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.656 0.741 . . . . 1.29 109.901 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 1.132 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.4 m-80 -128.77 147.58 50.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.777 -1.101 . . . . 0.95999999999999996 108.155 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.12 124.35 67.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.929 -0.767 . . . . 1.1000000000000001 108.929 -176.469 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.819 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 80.0 ttt180 -99.88 134.4 42.83 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.36 -0.836 . . . . 2.77 110.463 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 852' ' ' ARG . 18.3 mt -117.37 138.37 51.84 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.654 -1.239 . . . . 2.1299999999999999 107.654 167.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.162 -0.923 . . . . 1.77 110.443 -165.158 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.431 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 18.7 pt-20 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.787 -0.449 . . . . 3.25 109.787 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.3 tp -86.73 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.232 0.539 . . . . 1.4399999999999999 110.14 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.44 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -128.01 145.43 50.98 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.824 -0.806 . . . . 0.59999999999999998 108.824 -176.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.2 m -127.71 128.28 45.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 2.0600000000000001 110.68 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 783' ' ' LEU . 8.0 tp -150.58 146.9 26.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.053 -0.976 . . . . 1.4399999999999999 108.738 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 848' ' ' PHE . 7.5 mp -125.8 122.49 36.31 Favored 'General case' 0 C--N 1.315 -0.907 0 O-C-N 121.626 -0.671 . . . . 2.0699999999999998 109.708 -177.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.656 HG12 ' CE3' ' A' ' 789' ' ' TRP . 1.7 t -70.75 83.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.128 -1.397 . . . . 1.8 111.634 -168.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.67 -59.46 3.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 3.0600000000000001 111.885 -175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -104.44 32.12 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.425 -0.352 . . . . 2.3900000000000001 111.916 -171.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.576 HG11 ' HD2' ' A' ' 838' ' ' LYS . 17.5 t 47.89 70.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.392 0.615 . . . . 1.75 111.513 176.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.656 ' CE3' HG12 ' A' ' 785' ' ' VAL . 8.0 m0 -55.77 139.54 44.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.343 -0.844 . . . . 1.24 112.517 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.41 45.91 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.583 -0.525 . . . . 2.4300000000000002 109.583 173.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 45.6 t80 70.06 -50.49 0.64 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.169 -0.923 . . . . 0.60999999999999999 111.891 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.27 -41.3 96.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.97 0.414 . . . . 1.8600000000000001 110.109 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.568 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.9 OUTLIER -65.44 -40.6 93.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.684 -0.689 . . . . 1.3600000000000001 109.655 177.218 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.6 tp -63.69 -45.81 88.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.817 -1.083 . . . . 1.0900000000000001 110.33 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.65 -45.25 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 1.26 110.852 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.932 ' HE1' ' HA ' ' A' ' 796' ' ' MET . 3.9 mmt -56.9 -45.36 82.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.379 -0.373 . . . . 3.2200000000000002 111.384 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.55 92.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 1.0900000000000001 110.291 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 794' ' ' LEU . 75.6 mt -59.31 -51.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.987 -0.551 . . . . 1.3600000000000001 111.099 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -54.54 -53.15 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 1.21 111.621 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 11.5 p -67.32 -41.93 84.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.936 -0.575 . . . . 1.8400000000000001 111.455 -177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 801' ' ' LYS . 12.6 tppt? -67.92 -44.94 75.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.334 -0.394 . . . . 2.5 111.064 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 116.492 -0.322 . . . . 1.5600000000000001 110.666 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.8 Cg_exo . . . . . 0 N--CA 1.464 -0.212 0 N-CA-C 111.483 -0.237 . . . . 0.96999999999999997 111.483 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 815' ' ' LYS . 32.2 mm 75.75 -26.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.532 -0.758 . . . . 2.0600000000000001 110.919 -174.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 812' ' ' PRO . 23.8 p 73.89 -29.68 0.2 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 2.4500000000000002 110.168 -170.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 813' ' ' ILE . 3.6 mmpp? -82.24 53.79 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.719 -0.673 . . . . 2.9399999999999999 110.566 173.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 24.5 pt -81.23 145.71 8.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.753 0.787 . . . . 1.7 110.656 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.744 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 73.0 tttt -126.7 144.85 50.8 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.203 -1.406 . . . . 1.96 107.203 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 8.2 p90 -126.87 145.76 50.54 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.717 0.77 . . . . 0.94999999999999996 110.41 -171.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.929 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 37.2 tt0 -130.3 145.75 51.81 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.017 -1.447 . . . . 1.3100000000000001 109.339 -173.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -125.78 136.87 53.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.388 -0.369 . . . . 1.73 110.118 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.6 tp10 54.58 23.91 5.01 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.719 -1.128 . . . . 3.3799999999999999 111.472 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 30.0 t70 51.73 45.9 27.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.959 -0.564 . . . . 5.6299999999999999 110.746 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.66 -34.55 0.08 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.062 -1.066 . . . . 1.3899999999999999 113.9 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 819' ' ' GLN . 26.3 t0 -128.25 147.79 50.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.956 0.378 . . . . 1.47 110.704 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.744 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 16.5 m-85 -124.39 134.92 52.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.926 0.87 . . . . 1.54 111.489 -171.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.456 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 46.1 t -142.47 147.47 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.129 -1.396 . . . . 2.0 108.314 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.46 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.9 p -124.79 135.24 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 118.651 0.66 . . . . 1.8400000000000001 110.396 -175.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 833' ' ' ASP . 4.3 pp -129.5 176.55 7.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 1.72 111.499 -172.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.61 -37.52 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.515 -0.766 . . . . 1.2 112.094 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -86.82 -84.68 0.17 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.642 0.238 . . . . 2.0899999999999999 111.642 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -167.16 -48.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.842 0.353 . . . . 1.79 110.902 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -50.15 -49.13 53.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.609 -0.723 . . . . 2.9300000000000002 112.887 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.3 t0 -61.24 -36.74 80.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.381 0.61 . . . . 2.1400000000000001 110.575 -177.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.536 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 23.8 t-105 -68.41 -41.13 80.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.802 -0.635 . . . . 0.28999999999999998 110.567 174.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 3.1 m120 -55.03 -53.5 55.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.367 -0.379 . . . . 2.6699999999999999 110.437 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 833' ' ' ASP . 27.6 m -63.66 -36.27 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.976 -0.556 . . . . 2.0499999999999998 111.103 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.24 -52.31 65.83 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.98 -0.288 . . . . 1.04 110.587 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.576 ' HD2' HG11 ' A' ' 788' ' ' VAL . 8.6 mtmp? -56.7 -47.17 80.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.637 -0.256 . . . . 1.8700000000000001 111.011 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 71.1 mm-40 -58.82 -46.22 88.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.144 -0.48 . . . . 2.2200000000000002 110.343 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.419 ' HE2' HD21 ' A' ' 841' ' ' LEU . 27.1 ttp -53.0 -53.41 50.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.01 -0.996 . . . . 1.0600000000000001 111.077 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 31.4 mt -59.62 -57.58 12.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.719 -0.673 . . . . 1.3 111.086 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.55 -50.5 72.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.528 -0.76 . . . . 1.1499999999999999 112.47 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.61 -50.93 47.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.061 0.393 . . . . 2.9199999999999999 112.061 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.616 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 78.5 m-20 -68.83 -57.94 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.409 -0.516 . . . . 1.6000000000000001 111.791 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.616 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 10.3 p30 160.38 -29.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.719 0.637 . . . . 1.8999999999999999 110.257 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.93 164.13 2.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.514 0.674 . . . . 2.9700000000000002 112.806 -172.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -163.32 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.346 -0.843 . . . . 2.8599999999999999 110.284 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.922 ' HE2' HD22 ' A' ' 850' ' ' ASN . 17.4 t80 -60.25 124.11 19.28 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.832 -0.803 . . . . 0.65000000000000002 108.832 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.6 tp -129.18 140.42 51.51 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.56 0.695 . . . . 1.29 109.749 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.929 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 2.9 m120 -128.83 145.98 51.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.071 -1.085 . . . . 0.95999999999999996 108.071 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.18 124.74 66.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.941 -0.763 . . . . 1.1000000000000001 108.941 -174.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.712 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 47.7 ttt180 -101.08 114.4 28.31 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.238 -0.437 . . . . 2.77 110.588 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 853' ' ' LEU . 2.7 mm? -90.34 69.8 7.03 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.629 -0.878 . . . . 2.1299999999999999 108.629 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.145 -0.934 . . . . 1.77 111.871 -171.068 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 3.25 109.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.815 HD13 ' HB3' ' A' ' 850' ' ' ASN . 7.2 tp -76.95 137.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.706 -0.679 . . . . 1.4399999999999999 110.265 -176.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.613 ' HD2' HG13 ' A' ' 851' ' ' ILE . 28.9 t80 -127.73 145.84 50.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.195 -0.911 . . . . 0.59999999999999998 108.934 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.0 m -127.32 129.73 48.2 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.368 0.604 . . . . 2.0600000000000001 110.572 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.78 146.5 27.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.725 -1.125 . . . . 1.4399999999999999 109.142 -173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.1 tt -126.64 117.61 23.1 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.039 -0.665 . . . . 2.0699999999999998 109.52 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.528 HG12 ' HH2' ' A' ' 834' ' ' TRP . 14.2 m -69.72 146.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.076 -0.965 . . . . 1.8 112.113 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.87 156.4 37.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.486 -0.779 . . . . 3.0600000000000001 109.518 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.9 pttm 47.94 33.86 3.68 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.992 0.917 . . . . 2.3900000000000001 112.843 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 14.2 t 47.28 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.947 -0.57 . . . . 1.75 111.688 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.405 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 36.5 m0 -54.13 125.79 20.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 1.24 112.195 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.55 38.45 0.62 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.872 0.368 . . . . 2.4300000000000002 110.966 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.6 t80 72.76 -47.88 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.646 0.778 . . . . 0.60999999999999999 111.354 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -58.25 -47.94 81.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.01 0.433 . . . . 1.8600000000000001 110.265 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 77.0 m-20 -61.7 -41.24 97.32 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.631 -0.713 . . . . 1.3600000000000001 110.738 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.659 HD13 HD12 ' A' ' 798' ' ' ILE . 4.8 tp -62.7 -47.11 85.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 110.658 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.71 -42.04 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.489 -0.323 . . . . 1.26 111.092 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.42 -41.13 96.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.815 -0.175 . . . . 3.2200000000000002 111.077 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.62 97.98 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.754 0.311 . . . . 1.0900000000000001 110.307 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.659 HD12 HD13 ' A' ' 794' ' ' LEU . 73.4 mt -60.91 -51.84 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.803 -0.635 . . . . 1.3600000000000001 110.721 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.78 -50.51 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.21 111.554 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.4 p -65.42 -47.03 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.804 0.335 . . . . 1.8400000000000001 111.507 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 55.9 tttm -68.32 -42.29 79.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 2.5 111.644 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 111.896 0.332 . . . . 1.5600000000000001 111.896 -178.631 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.304 0 CA-C-O 120.811 0.255 . . . . 0.96999999999999997 111.966 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 66.34 141.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.461 -0.791 . . . . 2.0600000000000001 109.552 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 64.3 p -86.57 44.57 1.16 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.322 0.86 . . . . 2.4500000000000002 113.322 -162.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.634 ' C ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -158.16 51.75 0.43 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.219 -1.355 . . . . 2.9399999999999999 110.585 171.359 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 43.3 pt -65.68 146.52 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 1.7 109.73 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.902 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 37.4 tttp -126.53 144.04 51.01 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.376 -0.972 . . . . 1.96 108.376 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.661 ' CZ ' HG13 ' A' ' 826' ' ' VAL . 5.9 p90 -127.64 146.05 50.68 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.855 0.836 . . . . 0.94999999999999996 111.58 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 1.009 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.1 tt0 -128.38 147.33 50.63 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.789 -1.55 . . . . 1.3100000000000001 108.846 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' A' ' 824' ' ' ASP . 10.7 p-10 -124.07 143.75 50.27 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.135 -1.061 . . . . 1.73 108.135 -178.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.797 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 83.1 tt0 -49.13 -29.47 5.39 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.27 -0.877 . . . . 3.3799999999999999 112.771 -167.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.55 -33.76 60.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 5.6299999999999999 110.717 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 119.04 48.7 0.35 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 1.3899999999999999 112.629 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.483 ' HB3' ' OD1' ' A' ' 820' ' ' ASP . 13.1 t70 -134.45 145.42 48.85 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.874 -0.331 . . . . 1.47 111.14 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.45 124.52 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.517 0.675 . . . . 1.54 110.097 -177.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.661 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -149.92 149.81 14.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 114.101 -1.408 . . . . 2.0 108.743 -171.197 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.902 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 7.3 p -122.0 136.2 59.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 O-C-N 121.557 -0.714 . . . . 1.8400000000000001 109.833 -168.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.507 ' C ' HD11 ' A' ' 828' ' ' LEU . 3.7 pp -128.57 155.39 44.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.911 -1.04 . . . . 1.72 110.52 -169.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 178.01 42.22 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.948 -0.644 . . . . 1.2 111.969 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -137.71 -71.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.863 -0.335 . . . . 2.0899999999999999 110.881 -177.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 830' ' ' SER . 50.9 t0 171.04 -56.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.339 -0.615 . . . . 1.79 109.339 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.94 -37.58 87.62 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.282 -0.872 . . . . 2.9300000000000002 111.376 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.52 -45.67 84.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.308 -0.405 . . . . 2.1400000000000001 111.32 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.528 ' HH2' HG12 ' A' ' 785' ' ' VAL . 20.8 t-105 -67.64 -43.29 80.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.601 -0.272 . . . . 0.28999999999999998 110.711 174.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.482 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 82.8 m-20 -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.654 -0.248 . . . . 2.6699999999999999 110.677 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.8 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 2.0499999999999998 110.71 175.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.505 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.68 -48.11 80.44 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.855 -0.338 . . . . 1.04 110.836 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.502 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 50.5 mtmt -56.86 -48.86 77.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 1.8700000000000001 111.236 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.344 -0.389 . . . . 2.2200000000000002 110.465 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.405 ' HE3' ' HB3' ' A' ' 840' ' ' MET . 10.2 tmm? -53.51 -49.6 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 1.0600000000000001 110.54 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 22.9 mt -62.0 -58.29 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.3 111.188 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.89 82.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.429 -0.805 . . . . 1.1499999999999999 112.515 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.98 -52.52 48.78 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.083 0.239 . . . . 2.9199999999999999 111.311 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.4 m-80 -68.38 -58.96 3.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.633 -0.427 . . . . 1.6000000000000001 111.974 -176.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 21.4 p30 156.24 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.04 0.838 . . . . 1.8999999999999999 110.023 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 846' ' ' GLU . 1.0 OUTLIER -59.39 159.91 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.322 -0.854 . . . . 2.9700000000000002 111.706 -174.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.77 -27.25 0.1 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.334 -0.394 . . . . 2.8599999999999999 110.63 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.797 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 9.0 t80 -62.39 127.79 32.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.412 -0.358 . . . . 0.65000000000000002 110.094 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.7 tp -128.4 142.97 50.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.522 0.677 . . . . 1.29 110.406 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 1.009 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.7 m-80 -128.73 146.73 50.81 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.377 -0.972 . . . . 0.95999999999999996 108.377 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.613 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.09 127.32 70.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.628 -0.508 . . . . 1.1000000000000001 109.628 -174.07 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.75 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 71.3 ttt180 -100.49 113.52 26.37 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.055 0.455 . . . . 2.77 109.814 175.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.78 56.7 2.06 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.885 -0.598 . . . . 2.1299999999999999 109.754 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.522 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 48.3 p90 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.461 -0.78 . . . . 1.77 111.236 -174.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.456 ' HG2' HD23 ' A' ' 853' ' ' LEU . 2.9 pm0 . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 109.798 -0.445 . . . . 3.25 109.798 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.5 tp -89.8 137.23 21.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 1.4399999999999999 110.004 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.537 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.3 t80 -128.23 145.69 50.96 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.37 -0.832 . . . . 0.59999999999999998 109.121 -177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.4 p -127.0 131.89 50.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.659 -0.497 . . . . 2.0600000000000001 109.659 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.3 tp -149.62 147.27 27.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.036 -0.984 . . . . 1.4399999999999999 109.747 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.542 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 7.4 tp -126.09 116.74 21.85 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.914 -0.772 . . . . 2.0699999999999998 108.914 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 785' ' ' VAL . 20.7 m -67.37 123.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.8 111.601 -170.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -83.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 3.0600000000000001 110.935 -172.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -83.09 35.66 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.637 -0.256 . . . . 2.3900000000000001 111.4 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.789 HG12 ' HD2' ' A' ' 838' ' ' LYS . 76.3 t 71.17 -47.18 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 122.854 0.461 . . . . 1.75 110.938 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 53.2 m0 72.09 127.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.727 0.811 . . . . 1.24 111.671 175.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.8 44.64 1.13 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.769 -0.456 . . . . 2.4300000000000002 109.769 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.506 ' CE1' HD13 ' A' ' 828' ' ' LEU . 15.5 t80 71.82 -45.05 0.61 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.819 0.847 . . . . 0.60999999999999999 111.815 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 1.8600000000000001 110.259 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 1.6 t70 -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 1.3600000000000001 110.438 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -61.57 -46.14 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.06 -0.973 . . . . 1.0900000000000001 110.723 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.525 -0.307 . . . . 1.26 110.658 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.31 -44.83 88.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 3.2200000000000002 111.078 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.71 88.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0900000000000001 110.643 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 794' ' ' LEU . 82.5 mt -57.65 -53.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 1.3600000000000001 111.198 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.36 -36.75 84.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.508 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.5 t -62.53 -47.71 82.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.061 0.458 . . . . 1.8400000000000001 110.336 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' LYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 28.9 mmmt -69.4 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 2.5 111.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 47.7 mt . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 116.419 -0.355 . . . . 1.5600000000000001 111.642 -175.618 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' PRO . . . . . 0.675 ' HB2' HG22 ' A' ' 816' ' ' ILE . 6.0 Cg_exo . . . . . 0 N--CA 1.457 -0.638 0 CA-C-O 121.889 0.704 . . . . 0.96999999999999997 111.219 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' ILE . . . . . 0.878 HG23 ' HE2' ' A' ' 815' ' ' LYS . 8.9 mm 68.13 15.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 114.377 -1.283 . . . . 2.0600000000000001 111.801 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 11.1 p 69.62 -41.48 0.48 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.343 1.457 . . . . 2.4500000000000002 113.59 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.878 ' HE2' HG23 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -115.17 59.13 0.71 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.175 0.988 . . . . 2.9399999999999999 110.137 177.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.675 HG22 ' HB2' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -46.04 150.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 113.651 -1.613 . . . . 1.7 110.471 173.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.429 ' HB2' ' HE2' ' A' ' 817' ' ' LYS . 18.0 ttmm -126.51 145.13 50.63 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.962 -1.125 . . . . 1.96 107.962 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.0 p90 -126.39 146.02 50.23 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.69 0.757 . . . . 0.94999999999999996 110.42 -169.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.844 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 26.2 tt0 -127.72 145.34 50.93 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.056 -1.429 . . . . 1.3100000000000001 108.657 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.74 137.33 53.23 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.422 -0.584 . . . . 1.73 109.422 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.943 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 68.1 mt-10 55.17 25.12 6.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.571 -1.195 . . . . 3.3799999999999999 111.636 -175.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.748 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 35.4 t70 54.54 51.75 13.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.124 -0.489 . . . . 5.6299999999999999 111.294 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -161.59 -25.91 0.02 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 119.379 -1.391 . . . . 1.3899999999999999 114.943 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 44.0 t0 -126.98 147.5 50.12 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.961 0.88 . . . . 1.47 110.427 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.45 ' CE1' ' OE1' ' A' ' 819' ' ' GLN . 12.3 m-85 -124.92 131.26 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.7 0.762 . . . . 1.54 111.838 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 43.4 t -145.13 148.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.054 -1.43 . . . . 2.0 107.649 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 816' ' ' ILE . 9.4 p -123.49 139.73 49.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 118.573 0.624 . . . . 1.8400000000000001 109.424 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 833' ' ' ASP . 1.3 pp -128.16 162.68 26.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.757 . . . . 1.72 112.782 -166.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 169.6 -35.14 0.18 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 114.34 -1.3 . . . . 1.2 110.534 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 831' ' ' ASP . 0.6 OUTLIER -72.55 -8.29 54.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.212 -0.494 . . . . 2.0899999999999999 111.45 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 830' ' ' SER . 36.4 t70 77.82 -37.48 0.24 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.681 0.793 . . . . 1.79 111.0 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.06 -40.72 81.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.048 0.452 . . . . 2.9300000000000002 110.413 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.622 ' O ' HG21 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -58.18 -43.91 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.038 -0.983 . . . . 2.1400000000000001 110.266 175.02 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.608 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.7 t-105 -66.91 -42.1 85.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.498 -0.774 . . . . 0.28999999999999998 110.689 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.454 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 72.9 m-20 -58.32 -45.86 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.556 -0.293 . . . . 2.6699999999999999 111.221 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' ' 833' ' ' ASP . 19.0 m -66.91 -36.37 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.585 -0.446 . . . . 2.0499999999999998 110.847 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.512 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.24 -47.52 85.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.593 0.235 . . . . 1.04 110.767 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.789 ' HD2' HG12 ' A' ' 788' ' ' VAL . 51.9 mtmt -59.43 -44.42 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 1.8700000000000001 110.81 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 843' ' ' GLU . 51.7 mm-40 -56.59 -49.88 73.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.282 0.563 . . . . 2.2200000000000002 110.008 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.416 ' HE3' ' HB3' ' A' ' 840' ' ' MET . 41.4 ttp -53.82 -51.98 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.751 -1.113 . . . . 1.0600000000000001 111.302 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.677 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 67.1 mt -60.38 -43.3 96.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.447 -0.342 . . . . 1.3 111.012 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.26 64.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 1.1499999999999999 112.004 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 839' ' ' GLU . 56.1 mt-10 -63.93 -44.15 93.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 2.9199999999999999 110.284 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -65.57 -34.38 78.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 1.6000000000000001 111.149 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 72.29 20.04 4.22 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.591 0.756 . . . . 1.8999999999999999 109.27 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.943 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 47.1 tp10 -94.1 -45.4 7.57 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.737 -1.12 . . . . 2.9700000000000002 110.161 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 36.7 ttmt 69.08 -19.24 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.286 0.847 . . . . 2.8599999999999999 113.286 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.414 ' H ' ' C ' ' A' ' 846' ' ' GLU . 2.7 t80 -61.31 124.57 20.97 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.65000000000000002 110.414 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 20.3 tp -128.35 140.42 51.87 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.55 -0.75 . . . . 1.29 109.846 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.844 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 1.6 m120 -128.35 145.97 50.91 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.522 -1.288 . . . . 0.95999999999999996 107.522 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.537 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.8 OUTLIER -126.8 127.8 70.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.564 -0.532 . . . . 1.1000000000000001 109.564 -173.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.4 ' HB2' ' HE2' ' A' ' 825' ' ' PHE . 51.6 ttt180 -106.96 127.59 53.58 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.721 -0.672 . . . . 2.77 110.265 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' A' ' 779' ' ' GLU . 2.8 mm? -103.69 137.79 41.23 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.172 -1.047 . . . . 2.1299999999999999 108.172 175.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.762 -0.637 . . . . 1.77 110.22 -173.416 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.711 0.263 . . . . 3.5499999999999998 111.711 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.41 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 5.9 pt-20 -56.7 126.23 25.87 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.248 0.547 . . . . 3.25 111.336 -177.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 7.4 tp -107.32 141.53 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.06 -0.973 . . . . 1.4399999999999999 110.71 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.552 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.9 t80 -130.37 145.87 51.86 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.964 -1.016 . . . . 0.59999999999999998 108.839 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.592 HG21 ' OD1' ' A' ' 850' ' ' ASN . 67.5 p -126.68 126.77 44.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.927 -0.398 . . . . 2.0600000000000001 109.927 -175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 17.7 tp -150.51 147.22 27.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.889 . . . . 1.4399999999999999 109.994 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.75 126.2 44.21 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.918 -0.489 . . . . 2.0699999999999998 109.932 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.662 HG12 ' HH2' ' A' ' 834' ' ' TRP . 17.1 m -72.4 87.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.627 -1.17 . . . . 1.8 113.195 -169.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -74.22 140.94 45.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.861 -0.609 . . . . 3.0600000000000001 110.786 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 22.8 pttp 46.74 32.02 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 2.3900000000000001 113.455 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.4 t 49.62 90.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.523 0.678 . . . . 1.75 112.585 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 22.5 m0 -68.62 140.28 55.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.56 -0.745 . . . . 1.24 112.889 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.71 42.32 1.01 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.839 -0.618 . . . . 2.4300000000000002 110.549 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.519 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.9 t80 69.69 -54.78 0.6 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.992 0.917 . . . . 0.60999999999999999 112.174 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.93 -41.53 96.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.221 0.534 . . . . 1.8600000000000001 109.729 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.69 -39.39 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.304 -0.862 . . . . 1.3600000000000001 110.092 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.1 tp -67.06 -45.8 76.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.017 -0.992 . . . . 1.0900000000000001 110.83 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.95 -49.04 86.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.823 0.344 . . . . 1.26 111.019 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -40.88 88.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 3.2200000000000002 110.96 178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.2 99.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.425 -0.352 . . . . 1.0900000000000001 110.923 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 794' ' ' LEU . 79.6 mt -57.21 -49.76 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.608 . . . . 1.3600000000000001 110.411 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.73 -37.94 87.77 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.005 -0.543 . . . . 1.21 111.038 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 804' ' ' ASN . 49.7 m -54.09 -46.09 71.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.169 0.509 . . . . 1.8400000000000001 109.837 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.438 ' HG3' ' HZ ' ' A' ' 781' ' ' PHE . 46.0 mmtm -69.23 -56.49 7.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 2.5 112.07 175.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 51.6 mt -73.11 115.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.637 -0.256 . . . . 1.5600000000000001 111.57 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 807' ' ' ASN . 69.2 p 47.05 59.89 3.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.826 -0.625 . . . . 3.1000000000000001 111.489 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 800' ' ' SER . 10.3 p-10 -56.29 -23.38 36.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.57 -0.741 . . . . 5.3799999999999999 111.874 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.8 p -56.41 -91.69 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.013 -0.54 . . . . 5.6699999999999999 111.972 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -165.15 37.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.157 0.503 . . . . 7.1399999999999997 111.37 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.568 ' HB2' ' HB2' ' A' ' 803' ' ' SER . 65.5 m-80 -86.21 -131.11 0.05 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.924 -0.58 . . . . 6.1900000000000004 110.051 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.41 49.95 0.62 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.397 0.618 . . . . 5.7699999999999996 111.173 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -91.68 43.35 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.556 0.693 . . . . 3.21 110.431 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.402 HD12 HG22 ' A' ' 810' ' ' ILE . 42.4 mm -120.57 -48.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.763 0.792 . . . . 3.8199999999999998 109.202 177.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 66.0 m -157.39 132.64 5.59 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.017 -0.992 . . . . 2.29 109.176 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.447 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.9 Cg_exo -73.06 54.08 2.6 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 123.058 2.505 . . . . 0.96999999999999997 112.388 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.552 HG22 ' O ' ' A' ' 813' ' ' ILE . 35.2 mm 68.1 -3.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.938 -0.573 . . . . 2.0600000000000001 110.889 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 812' ' ' PRO . 44.8 p 59.13 9.2 1.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.427 1.091 . . . . 2.4500000000000002 111.59 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.0 mmpt? -103.79 43.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 2.9399999999999999 109.972 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.796 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -70.91 134.26 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.867 0.842 . . . . 1.7 111.366 -176.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.904 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 31.6 tttp -127.26 139.69 52.74 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.163 -1.421 . . . . 1.96 107.163 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.679 ' CZ ' HG13 ' A' ' 826' ' ' VAL . 14.3 p90 -127.61 145.76 50.77 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.817 0.818 . . . . 0.94999999999999996 111.697 -170.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.898 ' HG2' HD21 ' A' ' 850' ' ' ASN . 2.9 tt0 -128.39 144.22 51.11 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.421 -1.263 . . . . 1.3100000000000001 109.42 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.5 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.4 p30 -126.61 141.04 51.98 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.04 -0.527 . . . . 1.73 109.995 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 59.4 18.43 6.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.286 -0.87 . . . . 3.3799999999999999 110.165 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.7 t0 53.71 38.69 28.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.325 -0.852 . . . . 5.6299999999999999 110.972 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.23 -29.05 0.2 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.805 -1.188 . . . . 1.3899999999999999 114.424 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 11.1 t70 -127.63 145.41 50.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.747 0.774 . . . . 1.47 110.223 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -125.71 128.96 48.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.594 0.712 . . . . 1.54 111.328 -172.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.679 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.6 OUTLIER -150.14 148.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.381 -1.281 . . . . 2.0 108.855 -173.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.904 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 8.4 p -123.87 141.63 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 121.518 -0.739 . . . . 1.8400000000000001 110.547 -169.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 4.6 pp -129.74 172.59 11.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.473 -0.785 . . . . 1.72 111.14 -171.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.04 -48.89 0.03 OUTLIER Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.914 -0.875 . . . . 1.2 110.914 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -83.09 144.57 29.79 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.221 -0.659 . . . . 2.0899999999999999 109.221 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.62 65.94 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.356 0.598 . . . . 1.79 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -149.09 -47.35 0.14 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.031 -0.729 . . . . 2.9300000000000002 109.031 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.421 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 31.6 m-20 -62.94 -37.14 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.606 -0.725 . . . . 2.1400000000000001 109.205 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.662 ' HH2' HG12 ' A' ' 785' ' ' VAL . 26.2 t-105 -65.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.123 -0.944 . . . . 0.28999999999999998 110.759 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.07 -46.09 90.73 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.631 -0.507 . . . . 2.6699999999999999 109.631 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.64 -45.69 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.369 -0.832 . . . . 2.0499999999999998 110.636 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.91 -50.22 73.07 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 111.884 0.327 . . . . 1.04 111.884 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.542 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 51.6 mtmt -57.87 -45.44 86.32 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 121.148 -0.221 . . . . 1.8700000000000001 110.836 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.47 -42.21 98.42 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.041 0.448 . . . . 2.2200000000000002 110.344 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.5 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 38.6 ttp -57.8 -55.68 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.34 -0.845 . . . . 1.0600000000000001 110.379 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.3 mt -54.46 -49.49 69.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.255 -0.43 . . . . 1.3 111.348 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.69 71.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.206 0.447 . . . . 1.1499999999999999 112.206 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -68.58 -46.2 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 2.9199999999999999 110.865 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.4 m120 -64.59 -35.3 80.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 1.6000000000000001 110.428 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 96.2 -12.53 0.09 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.216 . . . . 1.8999999999999999 109.788 -175.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -71.54 152.92 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.318 -0.855 . . . . 2.9700000000000002 110.364 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -142.47 -17.02 0.72 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.283 -0.417 . . . . 2.8599999999999999 110.617 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -61.89 124.8 21.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.74 -0.467 . . . . 0.65000000000000002 109.74 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.484 HD11 ' HD2' ' A' ' 818' ' ' TYR . 16.0 tp -128.42 144.22 51.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.349 0.595 . . . . 1.29 109.413 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.898 HD21 ' HG2' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.13 145.41 51.02 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.274 -1.009 . . . . 0.95999999999999996 108.274 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.674 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -126.93 124.43 64.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.212 -0.662 . . . . 1.1000000000000001 109.212 -175.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.558 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.4 ttm180 -106.71 137.98 43.73 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 116.274 -0.421 . . . . 2.77 110.6 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 852' ' ' ARG . 12.7 mt -119.65 138.1 53.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 107.712 -1.218 . . . . 2.1299999999999999 107.712 167.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--N 1.312 -1.035 0 CA-C-O 118.231 -0.89 . . . . 1.77 110.943 -165.64 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.879 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 13.7 p . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.639 0.256 . . . . 3.5499999999999998 111.434 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 6.0 pt-20 -69.19 123.51 21.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.221 0.534 . . . . 3.25 109.852 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.742 HD11 ' HB3' ' A' ' 850' ' ' ASN . 6.6 tp -91.0 139.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.624 -0.716 . . . . 1.4399999999999999 109.576 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.615 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.8 t80 -127.57 145.25 50.93 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.818 -0.808 . . . . 0.59999999999999998 108.818 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.1 m -127.29 128.86 46.65 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.838 -0.43 . . . . 2.0600000000000001 109.838 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.6 tp -149.98 147.64 28.1 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.638 -1.165 . . . . 1.4399999999999999 109.376 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.46 121.94 35.22 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.359 -0.608 . . . . 2.0699999999999998 109.359 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.687 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.5 t -71.35 123.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.055 -1.43 . . . . 1.8 112.037 -167.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -80.2 -115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.048 -0.978 . . . . 3.0600000000000001 111.138 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.694 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -76.53 54.71 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 2.3900000000000001 111.821 -177.644 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.554 ' CG1' ' HD2' ' A' ' 838' ' ' LYS . 88.9 t 71.38 -50.61 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 123.024 0.53 . . . . 1.75 112.003 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.687 ' CE3' HG13 ' A' ' 785' ' ' VAL . 51.5 m0 71.08 124.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.271 0.628 . . . . 1.24 111.507 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -83.92 47.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.978 -0.451 . . . . 2.4300000000000002 110.8 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 25.5 t80 69.65 -47.48 0.6 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.094 0.958 . . . . 0.60999999999999999 112.274 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 796' ' ' MET . 54.1 m-20 -60.84 -40.09 91.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.663 0.268 . . . . 1.8600000000000001 110.628 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -61.91 -41.26 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.314 0.578 . . . . 1.3600000000000001 110.236 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.4 tp -62.42 -43.86 97.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.872 -1.058 . . . . 1.0900000000000001 110.198 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.28 -42.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 1.26 110.849 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.512 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.1 mtp -59.46 -44.8 92.9 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 3.2200000000000002 111.133 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.63 96.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.052 0.453 . . . . 1.0900000000000001 110.359 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 794' ' ' LEU . 77.4 mt -60.23 -47.48 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.423 -0.808 . . . . 1.3600000000000001 110.689 176.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.719 ' HA ' ' ND2' ' A' ' 809' ' ' ASN . 6.3 m120 -60.82 -43.29 98.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 1.21 111.367 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 13.4 t -67.38 -50.43 59.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.105 -0.498 . . . . 1.8400000000000001 110.874 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -68.93 -51.04 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.657 0.614 . . . . 2.5 112.657 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.486 ' HB ' ' ND2' ' A' ' 809' ' ' ASN . 54.6 mt -69.85 128.74 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.631 0.253 . . . . 1.5600000000000001 110.472 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 24.9 t -171.26 154.03 3.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.288 -1.004 . . . . 3.1000000000000001 108.288 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.58 64.24 0.81 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.381 0.61 . . . . 5.3799999999999999 110.648 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 806' ' ' HIS . 9.9 t -172.67 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.956 -1.02 . . . . 5.6699999999999999 110.274 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.421 ' N ' HG21 ' A' ' 805' ' ' THR . 94.5 m-70 -114.78 164.4 14.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.079 -0.711 . . . . 7.1399999999999997 109.079 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -58.4 -39.7 80.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.225 0.536 . . . . 6.1900000000000004 109.62 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.415 ' N ' HD21 ' A' ' 808' ' ' ASN . 0.0 OUTLIER -163.61 126.28 2.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.005 -0.998 . . . . 5.7699999999999996 109.721 171.445 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.719 ' ND2' ' HA ' ' A' ' 799' ' ' ASN . 62.1 t30 -85.3 61.53 6.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.269 0.557 . . . . 3.21 111.075 -172.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 45.2 mm -76.84 -41.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 3.8199999999999998 109.137 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.469 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 70.0 m -144.23 133.63 11.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.132 -0.94 . . . . 2.29 109.038 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.537 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.0 Cg_exo -75.77 52.78 3.45 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.192 2.595 . . . . 0.96999999999999997 111.984 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 70.83 -16.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.512 0.725 . . . . 2.0600000000000001 110.985 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.537 ' H ' ' C ' ' A' ' 812' ' ' PRO . 0.0 OUTLIER 58.29 11.52 1.63 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.271 1.029 . . . . 2.4500000000000002 111.72 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.5 mmpt? -106.41 37.74 2.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.793 -0.817 . . . . 2.9399999999999999 108.793 173.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.631 HG12 HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -72.05 152.22 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.885 -1.052 . . . . 1.7 111.527 -173.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.914 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.8 mttt -126.55 146.06 50.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.712 -1.585 . . . . 1.96 107.478 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.629 ' CZ ' HG12 ' A' ' 826' ' ' VAL . 7.3 p90 -126.25 143.85 51.0 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.654 0.74 . . . . 0.94999999999999996 109.734 -175.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.896 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.2 tt0 -128.47 141.05 51.51 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.038 -1.437 . . . . 1.3100000000000001 109.057 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -126.41 139.88 52.92 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.914 -0.585 . . . . 1.73 110.012 -171.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 56.21 19.92 4.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.615 -1.175 . . . . 3.3799999999999999 110.72 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.413 ' HA ' HE21 ' A' ' 819' ' ' GLN . 27.1 t70 54.29 44.25 29.3 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.217 -0.901 . . . . 5.6299999999999999 110.878 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -147.31 -27.09 0.08 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 119.882 -1.151 . . . . 1.3899999999999999 114.401 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.42 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 1.8 m-20 -127.23 145.88 50.61 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 117.627 0.713 . . . . 1.47 110.506 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.36 128.94 47.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.577 0.703 . . . . 1.54 110.943 -172.558 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.629 HG12 ' CZ ' ' A' ' 818' ' ' TYR . 0.2 OUTLIER -150.3 148.98 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.455 -1.248 . . . . 2.0 109.009 -172.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.833 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 7.4 p -123.31 138.65 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 121.445 -0.784 . . . . 1.8400000000000001 110.996 -169.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.631 HD12 HG12 ' A' ' 816' ' ' ILE . 0.0 OUTLIER -133.61 168.88 17.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.173 -0.921 . . . . 1.72 110.837 -173.403 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -172.03 -35.37 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.797 -0.716 . . . . 1.2 111.93 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.0 p -79.04 -74.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.572 0.225 . . . . 2.0899999999999999 111.244 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t70 179.64 -45.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.069 -0.514 . . . . 1.79 110.552 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 832' ' ' GLU . 5.3 mp0 -52.63 -45.85 66.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.363 -0.835 . . . . 2.9300000000000002 111.94 -174.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.526 ' O ' HG11 ' A' ' 836' ' ' VAL . 56.8 m-20 -66.25 -37.73 86.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.444 . . . . 2.1400000000000001 111.169 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.64 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 18.5 t-105 -67.83 -40.46 83.77 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.549 -0.46 . . . . 0.28999999999999998 109.783 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.499 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.3 t30 -58.69 -47.27 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 2.6699999999999999 111.188 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.526 HG11 ' O ' ' A' ' 833' ' ' ASP . 7.4 p -65.24 -36.56 78.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 120.817 -0.353 . . . . 2.0499999999999998 110.576 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.565 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.1 -51.66 68.68 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.562 0.22 . . . . 1.04 111.245 176.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 49.0 mtmt -56.68 -47.81 79.04 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.253 -0.431 . . . . 1.8700000000000001 110.708 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.42 -44.68 95.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.671 -0.695 . . . . 2.2200000000000002 110.708 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 36.9 ttp -53.55 -50.64 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.716 -0.675 . . . . 1.0600000000000001 111.182 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 24.7 mt -59.68 -57.25 13.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 1.3 110.974 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.95 82.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.817 -0.629 . . . . 1.1499999999999999 112.236 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -65.44 -52.11 55.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.517 . . . . 2.9199999999999999 111.313 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.0 m-80 -68.78 -58.6 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.061 -0.255 . . . . 1.6000000000000001 111.28 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.521 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 19.4 p30 158.42 -30.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.955 0.785 . . . . 1.8999999999999999 110.784 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.13 -178.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.924 1.083 . . . . 2.9700000000000002 113.924 -169.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -164.43 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.649 -1.614 . . . . 2.8599999999999999 109.932 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.22 123.72 17.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.632 -0.507 . . . . 0.65000000000000002 109.632 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 819' ' ' GLN . 17.2 tp -130.75 142.94 50.43 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.58 0.705 . . . . 1.29 109.806 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.896 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.3 m-80 -128.29 146.03 50.88 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.864 -1.162 . . . . 0.95999999999999996 107.864 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.622 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.9 OUTLIER -125.96 124.74 66.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.981 -0.748 . . . . 1.1000000000000001 108.981 -173.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.914 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.2 ttt85 -95.97 122.46 38.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.594 -0.73 . . . . 2.77 110.44 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.611 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 6.4 mp -114.38 63.58 0.66 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.959 -1.126 . . . . 2.1299999999999999 107.959 169.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.879 ' HA ' ' HA ' ' A' ' 778' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.657 0 CA-C-N 113.396 -1.729 . . . . 1.77 111.899 -175.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.532 -0.173 . . . . 3.5499999999999998 110.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.549 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 83.8 mt-10 55.24 45.94 24.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.294 1.045 . . . . 3.25 109.899 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.491 ' HB ' ' O ' ' A' ' 779' ' ' GLU . 0.4 OUTLIER 170.04 128.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 112.592 -2.095 . . . . 1.4399999999999999 108.904 176.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -149.59 146.67 27.44 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.115 -1.069 . . . . 0.59999999999999998 108.115 -175.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.7 t -126.3 132.87 51.56 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.385 0.612 . . . . 2.0600000000000001 110.641 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.1 tp -150.14 148.18 28.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 113.932 -1.485 . . . . 1.4399999999999999 109.065 -169.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.508 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 8.3 tp -125.02 118.63 26.64 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.21 -0.663 . . . . 2.0699999999999998 109.21 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.643 HG11 ' HH2' ' A' ' 834' ' ' TRP . 24.8 m -64.8 132.82 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.013 -0.994 . . . . 1.8 111.408 -172.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -94.54 -116.64 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.4 -0.818 . . . . 3.0600000000000001 110.81 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 0.1 OUTLIER -73.6 42.77 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.439 0.533 . . . . 2.3900000000000001 112.439 -176.584 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.25 81.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.562 0.696 . . . . 1.75 110.953 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.444 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 26.6 m0 -63.96 138.0 58.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.151 -0.931 . . . . 1.24 112.479 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 41.37 0.86 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.052 -0.522 . . . . 2.4300000000000002 110.68 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.8 t80 68.96 -51.87 0.58 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.658 0.783 . . . . 0.60999999999999999 111.933 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.47 -43.16 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 1.8600000000000001 109.965 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.08 -41.49 98.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 1.3600000000000001 110.186 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -64.01 -42.73 97.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.085 -0.962 . . . . 1.0900000000000001 110.499 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 791' ' ' PHE . 28.3 mm -61.54 -51.03 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.458 -0.337 . . . . 1.26 111.668 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.0 ptm -62.64 -36.62 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.138 -0.225 . . . . 3.2200000000000002 110.405 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 801' ' ' LYS . . . -62.38 -51.25 68.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.325 -0.398 . . . . 1.0900000000000001 110.454 175.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.639 HD11 HG22 ' A' ' 851' ' ' ILE . 94.0 mt -53.85 -50.67 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.196 0.522 . . . . 1.3600000000000001 110.879 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.643 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 1.8 m120 -58.17 -51.24 70.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.356 -0.838 . . . . 1.21 111.941 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 29.7 t -65.43 -39.25 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.275 -0.42 . . . . 1.8400000000000001 111.387 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 797' ' ' ALA . 29.0 mmmt -68.05 -42.26 80.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.341 -0.224 . . . . 2.5 111.151 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.427 HD13 HG23 ' A' ' 798' ' ' ILE . 59.2 mt -72.18 -53.1 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.661 0.267 . . . . 1.5600000000000001 111.409 -178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 12.0 m -103.14 37.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.673 -0.24 . . . . 3.1000000000000001 111.536 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -45.66 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 5.3799999999999999 111.848 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 10.8 t -76.85 -36.84 56.53 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.962 0.356 . . . . 5.6699999999999999 111.962 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -78.12 -58.64 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.642 0.608 . . . . 7.1399999999999997 112.642 -175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -173.52 155.92 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.414 -0.587 . . . . 6.1900000000000004 109.414 -173.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.643 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 1.0 OUTLIER -59.09 -12.54 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.652 0.241 . . . . 5.7699999999999996 111.652 178.517 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 799' ' ' ASN . 17.7 t-20 71.01 135.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.557 0.743 . . . . 3.21 112.063 170.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 50.2 mm -77.75 -46.84 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.29 -0.868 . . . . 3.8199999999999998 111.335 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 43.7 p -157.77 138.95 9.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 2.29 110.397 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 1.6 Cg_endo -78.19 53.05 4.32 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.185 2.59 . . . . 0.96999999999999997 111.686 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.49 ' C ' ' H ' ' A' ' 815' ' ' LYS . 35.6 mm 73.21 -14.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.78 -0.646 . . . . 2.0600000000000001 111.591 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 812' ' ' PRO . 27.8 p 70.46 -29.63 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 2.4500000000000002 111.707 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.5 OUTLIER -75.58 67.35 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.792 -0.448 . . . . 2.9399999999999999 109.792 173.414 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.535 HD13 HD12 ' A' ' 828' ' ' LEU . 17.9 pt -99.65 139.67 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 122.212 1.006 . . . . 1.7 111.845 -174.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 79.8 mttt -127.8 146.65 50.53 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.722 -1.581 . . . . 1.96 108.294 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.5 p90 -126.74 145.14 50.71 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.331 0.586 . . . . 0.94999999999999996 109.849 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.891 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 7.0 tt0 -128.15 143.19 51.03 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.951 -1.022 . . . . 1.3100000000000001 109.313 -176.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.71 144.46 50.92 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.247 -0.649 . . . . 1.73 109.247 -176.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.479 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 84.9 mt-10 62.94 9.14 3.54 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.25 -0.886 . . . . 3.3799999999999999 112.073 -175.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.1 t0 57.58 50.59 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 5.6299999999999999 110.131 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -158.71 -24.94 0.03 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.226 -0.988 . . . . 1.3899999999999999 114.088 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 35.8 t70 -127.8 145.4 50.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.427 0.614 . . . . 1.47 110.325 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -125.28 131.84 53.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.707 0.765 . . . . 1.54 110.996 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.552 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 23.9 t -137.79 149.21 25.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.304 -1.316 . . . . 2.0 108.329 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.639 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 11.9 p -123.4 133.77 68.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.238 -0.653 . . . . 1.8400000000000001 109.238 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 816' ' ' ILE . 3.1 pp -128.51 156.79 42.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.347 -0.842 . . . . 1.72 111.535 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -171.59 -30.01 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 1.2 112.054 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.6 m -82.34 14.52 2.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.771 -0.252 . . . . 2.0899999999999999 111.451 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.01 -45.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.759 0.824 . . . . 1.79 112.385 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.695 ' HA ' HD21 ' A' ' 835' ' ' ASN . 39.3 mm-40 -57.98 -36.07 72.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 2.9300000000000002 111.081 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.5 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 1.6 m-20 -56.18 -40.32 73.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.918 -0.583 . . . . 2.1400000000000001 110.669 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.643 ' HH2' HG11 ' A' ' 785' ' ' VAL . 33.1 t-105 -64.96 -41.78 95.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.28999999999999998 110.654 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.695 HD21 ' HA ' ' A' ' 832' ' ' GLU . 76.3 m-20 -58.6 -41.68 86.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.263 -0.426 . . . . 2.6699999999999999 110.072 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.18 -45.05 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.708 . . . . 2.0499999999999998 110.664 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.85 -47.22 87.34 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.66 0.244 . . . . 1.04 111.66 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.439 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 7.4 mtmp? -57.76 -50.38 73.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.083 0.468 . . . . 1.8700000000000001 110.723 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -41.19 98.3 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.368 -0.833 . . . . 2.2200000000000002 110.152 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 38.2 ttp -52.33 -51.08 60.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.069 -0.514 . . . . 1.0600000000000001 110.575 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 25.8 mt -59.7 -57.49 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 1.3 110.96 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.96 76.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.697 -0.683 . . . . 1.1499999999999999 112.621 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -50.09 65.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 2.9199999999999999 111.197 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.7 m120 -68.69 -59.18 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 1.6000000000000001 110.987 -176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 20.7 p30 152.34 -26.5 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.053 0.941 . . . . 1.8999999999999999 110.026 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.479 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 13.7 tp10 -67.41 168.98 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.791 . . . . 2.9700000000000002 111.728 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.508 ' HG2' ' HG ' ' A' ' 784' ' ' LEU . 36.6 ttmt -154.65 -22.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.957 -0.565 . . . . 2.8599999999999999 110.96 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.55 124.32 19.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.261 -0.274 . . . . 0.65000000000000002 110.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 849' ' ' LEU . 18.9 tp -128.9 145.34 51.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.598 . . . . 1.29 110.606 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.891 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.6 m-80 -133.76 145.27 49.65 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.942 -0.762 . . . . 0.95999999999999996 108.942 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.682 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -128.17 129.99 69.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.634 0.254 . . . . 1.1000000000000001 110.764 -176.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.549 ' HE ' ' HB3' ' A' ' 779' ' ' GLU . 74.8 ttt180 -112.68 118.75 35.9 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.853 -0.339 . . . . 2.77 111.035 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.499 HD21 ' O ' ' A' ' 853' ' ' LEU . 0.0 OUTLIER -111.99 133.82 53.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.019 -1.104 . . . . 2.1299999999999999 108.019 168.658 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.419 ' CE2' ' HE3' ' A' ' 817' ' ' LYS . 32.2 p90 . . . . . 0 C--N 1.314 -0.973 0 CA-C-O 118.378 -0.82 . . . . 1.77 110.907 -165.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.922 0.392 . . . . 3.5499999999999998 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.611 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 1.6 pm0 -63.41 117.9 7.33 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.686 -0.688 . . . . 3.25 110.15 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -100.08 138.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.929 -1.032 . . . . 1.4399999999999999 109.484 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.457 ' HD2' HG13 ' A' ' 851' ' ' ILE . 12.2 t80 -128.15 145.32 51.06 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.243 -0.651 . . . . 0.59999999999999998 109.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.439 HG23 ' CZ ' ' A' ' 848' ' ' PHE . 95.7 m -127.06 131.44 50.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.408 -0.59 . . . . 2.0600000000000001 109.408 -176.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.64 146.28 27.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.043 -0.98 . . . . 1.4399999999999999 109.975 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.824 HD11 ' HA ' ' A' ' 848' ' ' PHE . 0.8 OUTLIER -126.92 118.68 25.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.23 -0.656 . . . . 2.0699999999999998 109.23 179.703 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.492 HG13 ' HH2' ' A' ' 834' ' ' TRP . 10.8 m -68.16 129.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 1.8 111.033 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.402 ' HB3' ' H ' ' A' ' 787' ' ' LYS . 27.1 tp10 -95.45 -108.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.791 -0.64 . . . . 3.0600000000000001 111.109 -173.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER -76.12 47.43 0.45 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.176 0.436 . . . . 2.3900000000000001 112.176 -175.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 22.5 t 57.56 70.27 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.327 0.584 . . . . 1.75 110.781 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 40.8 m0 -55.79 134.64 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 1.24 111.563 -178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -94.82 48.47 1.2 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 2.4300000000000002 110.65 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.434 ' O ' HG12 ' A' ' 795' ' ' ILE . 18.9 t80 71.18 -53.27 0.68 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.682 0.793 . . . . 0.60999999999999999 111.578 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.79 -42.04 96.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 1.8600000000000001 110.171 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.612 ' O ' ' HG2' ' A' ' 796' ' ' MET . 43.5 m-20 -63.93 -41.91 97.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.59 0.709 . . . . 1.3600000000000001 110.674 176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.474 ' O ' HG13 ' A' ' 798' ' ' ILE . 2.6 tp -63.69 -40.73 97.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 110.078 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 791' ' ' PHE . 34.5 mm -64.91 -45.87 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 1.26 111.543 177.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.612 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 25.5 ptm -61.91 -36.91 82.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.982 -0.287 . . . . 3.2200000000000002 110.546 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.51 88.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.009 0.433 . . . . 1.0900000000000001 110.353 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 794' ' ' LEU . 78.2 mt -59.2 -46.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.665 -0.698 . . . . 1.3600000000000001 110.678 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.582 ' HA ' ' ND2' ' A' ' 809' ' ' ASN . 6.3 m120 -59.32 -47.99 83.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 1.21 111.828 -175.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.3 p -68.41 -47.75 66.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.758 0.313 . . . . 1.8400000000000001 111.495 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.87 -45.25 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.778 0.658 . . . . 2.5 112.778 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.495 ' HB ' ' ND2' ' A' ' 809' ' ' ASN . 42.3 mt -78.16 137.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.308 . . . . 1.5600000000000001 110.476 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 802' ' ' ILE . 7.4 t -94.46 -158.79 0.66 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.011 0.434 . . . . 3.1000000000000001 110.868 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -77.15 63.82 2.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 5.3799999999999999 112.075 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 19.2 p -59.03 -55.46 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.111 -0.495 . . . . 5.6699999999999999 111.746 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -115.66 -64.11 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.124 0.487 . . . . 7.1399999999999997 109.755 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -132.67 112.18 11.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.347 -0.982 . . . . 6.1900000000000004 108.347 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.7 p30 33.28 -130.44 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.385 1.053 . . . . 5.7699999999999996 111.525 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 799' ' ' ASN . 52.4 t30 -175.18 42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.27 0.557 . . . . 3.21 110.541 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.414 ' HA ' HD13 ' A' ' 810' ' ' ILE . 47.6 mm -70.16 -43.07 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.313 -0.995 . . . . 3.8199999999999998 108.313 172.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.477 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 49.4 m -130.43 130.53 23.0 Favored Pre-proline 0 N--CA 1.443 -0.785 0 CA-C-N 114.405 -1.271 . . . . 2.29 108.686 171.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 8.0 Cg_exo -73.56 49.97 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.155 2.57 . . . . 0.96999999999999997 111.659 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 813' ' ' ILE . 22.2 mm 71.4 -10.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.48 -0.782 . . . . 2.0600000000000001 110.847 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.493 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 52.3 p 59.96 11.42 2.61 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.409 1.084 . . . . 2.4500000000000002 111.244 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.731 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.7 mmpt? -111.95 47.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 2.9399999999999999 109.603 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 34.2 pt -84.52 141.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.742 0.782 . . . . 1.7 111.115 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -126.71 143.79 51.13 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.958 -1.497 . . . . 1.96 106.958 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.557 ' CZ ' ' HB ' ' A' ' 826' ' ' VAL . 12.0 p90 -126.54 147.45 49.86 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.338 0.59 . . . . 0.94999999999999996 110.406 -164.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.99 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.8 tt0 -126.3 144.85 50.65 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.525 -1.216 . . . . 1.3100000000000001 108.867 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 0.2 OUTLIER -126.55 148.12 49.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.269 -0.878 . . . . 1.73 109.601 -170.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -32.58 -36.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.058 1.743 . . . . 3.3799999999999999 113.675 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.18 -31.47 71.21 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.219 0.533 . . . . 5.6299999999999999 111.272 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 105.75 48.75 1.0 Allowed Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.876 -0.889 . . . . 1.3899999999999999 110.876 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.56 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 36.9 t70 -134.89 149.4 50.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.293 -0.453 . . . . 1.47 111.11 -171.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -123.59 129.4 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 122.034 0.921 . . . . 1.54 110.911 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.557 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 75.1 t -141.34 148.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 113.863 -1.517 . . . . 2.0 107.91 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 7.6 p -123.15 135.49 62.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 118.323 0.51 . . . . 1.8400000000000001 109.665 -172.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 4.4 pp -128.86 156.85 43.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.03 -0.986 . . . . 1.72 111.866 -166.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 171.56 32.28 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.258 -0.883 . . . . 1.2 112.043 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -154.92 27.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.723 0.262 . . . . 2.0899999999999999 110.917 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.63 -54.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.43 0.692 . . . . 1.79 112.775 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -56.87 -44.46 82.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.927 0.491 . . . . 2.9300000000000002 110.62 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -47.37 76.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.79 . . . . 2.1400000000000001 111.037 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.492 ' HH2' HG13 ' A' ' 785' ' ' VAL . 31.8 t-105 -63.19 -39.57 95.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 0.28999999999999998 110.944 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.49 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 49.2 t30 -59.49 -40.69 87.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.984 -0.287 . . . . 2.6699999999999999 110.319 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.18 -45.52 95.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 2.0499999999999998 110.43 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.13 -48.86 77.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.675 0.274 . . . . 1.04 111.117 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 9.2 mtmp? -58.84 -49.94 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 1.8700000000000001 110.972 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.06 -44.2 91.79 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.024 -0.534 . . . . 2.2200000000000002 110.289 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 36.2 ttp -52.51 -54.02 38.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 1.0600000000000001 111.164 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.992 ' HA ' ' HG2' ' A' ' 846' ' ' GLU . 25.1 mt -58.94 -57.78 11.54 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.306 0.574 . . . . 1.3 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.25 84.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.554 -0.748 . . . . 1.1499999999999999 112.628 -173.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.39 -52.04 37.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.975 -0.29 . . . . 2.9199999999999999 111.482 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 75.6 m-80 -69.5 -58.23 4.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.178 -0.609 . . . . 1.6000000000000001 111.453 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 16.8 p30 158.73 -27.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.123 0.569 . . . . 1.8999999999999999 110.783 176.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.992 ' HG2' ' HA ' ' A' ' 841' ' ' LEU . 3.6 pm0 -59.46 168.97 1.37 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.668 0.747 . . . . 2.9700000000000002 112.819 -174.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.35 -28.19 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.112 -0.949 . . . . 2.8599999999999999 110.15 178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.824 ' HA ' HD11 ' A' ' 784' ' ' LEU . 5.4 t80 -57.19 127.82 33.86 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.65000000000000002 110.576 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.7 tp -130.45 138.94 50.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 1.29 110.002 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.99 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.92 146.61 50.9 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.59 -0.893 . . . . 0.95999999999999996 108.59 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.457 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -126.29 124.79 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.441 -0.577 . . . . 1.1000000000000001 109.441 -177.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.495 ' NE ' ' HB3' ' A' ' 854' ' ' TYR . 75.7 ttt180 -102.93 129.97 49.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.329 -0.85 . . . . 2.77 110.479 -178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.611 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 10.0 mt -109.83 74.07 0.87 Allowed 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.468 -0.938 . . . . 2.1299999999999999 108.468 166.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.495 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-N 114.386 -1.279 . . . . 1.77 112.184 -172.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 120.727 0.298 . . . . 3.5499999999999998 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.3 122.5 20.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 3.25 109.304 171.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.49 140.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.457 0.646 . . . . 1.4399999999999999 109.907 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.556 ' HD2' HG13 ' A' ' 851' ' ' ILE . 20.5 t80 -127.67 145.89 50.74 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.59999999999999998 108.818 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 16.3 p -126.14 128.38 47.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.109 0.48 . . . . 2.0600000000000001 109.717 -173.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.443 HD23 HD13 ' A' ' 798' ' ' ILE . 30.3 tp -149.55 147.61 28.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.993 -1.003 . . . . 1.4399999999999999 109.629 -170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.3 tp -125.83 112.75 16.38 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.696 -0.853 . . . . 2.0699999999999998 108.696 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.509 HG13 ' CZ3' ' A' ' 789' ' ' TRP . 30.6 m -64.83 112.39 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 1.8 109.953 -174.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.63 -35.88 81.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.059 -0.973 . . . . 3.0600000000000001 110.222 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 -165.66 0.92 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.919 -1.037 . . . . 2.3900000000000001 108.232 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.2 119.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.244 0.545 . . . . 1.75 110.091 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.509 ' CZ3' HG13 ' A' ' 785' ' ' VAL . 14.2 m0 -110.96 122.04 46.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.511 -0.768 . . . . 1.24 109.821 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -80.29 41.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.891 0.377 . . . . 2.4300000000000002 110.869 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 27.5 t80 69.42 -45.15 0.56 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.269 1.028 . . . . 0.60999999999999999 111.97 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 796' ' ' MET . 39.2 m-20 -61.73 -44.13 97.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.393 0.14 . . . . 1.8600000000000001 110.664 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -59.91 -46.9 87.89 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.518 0.675 . . . . 1.3600000000000001 109.957 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.634 ' O ' HG12 ' A' ' 798' ' ' ILE . 7.1 tp -59.46 -50.19 74.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.563 -1.198 . . . . 1.0900000000000001 111.138 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.6 mm -66.45 -37.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.208 0.447 . . . . 1.26 112.208 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 70.7 mtm -61.25 -44.28 97.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.084 -0.339 . . . . 3.2200000000000002 110.084 176.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.25 99.71 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.803 -0.635 . . . . 1.0900000000000001 110.28 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.634 HG12 ' O ' ' A' ' 794' ' ' LEU . 31.4 mm -56.4 -58.16 6.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 CA-C-N 115.903 -0.59 . . . . 1.3600000000000001 110.881 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.09 -46.26 88.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.539 . . . . 1.21 111.734 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.0 t -59.8 -52.01 67.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.172 -0.467 . . . . 1.8400000000000001 110.741 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -68.44 -37.8 80.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.606 0.595 . . . . 2.5 112.606 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 798' ' ' ILE . 30.6 mm -58.11 -41.58 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.241 0.543 . . . . 1.5600000000000001 109.926 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -73.01 -40.23 65.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.83 -0.623 . . . . 3.1000000000000001 110.021 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -77.27 59.68 1.83 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.367 0.603 . . . . 5.3799999999999999 111.553 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.525 HG21 ' N ' ' A' ' 806' ' ' HIS . 9.2 t -176.59 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.747 -0.66 . . . . 5.6699999999999999 109.258 176.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.525 ' N ' HG21 ' A' ' 805' ' ' THR . 26.6 m-70 -84.96 -156.53 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 7.1399999999999997 109.805 171.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.408 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 33.0 t30 -99.42 -54.68 2.88 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.813 0.339 . . . . 6.1900000000000004 110.197 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.429 HD21 ' C ' ' A' ' 808' ' ' ASN . 0.1 OUTLIER -116.36 159.35 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 5.7699999999999996 109.501 173.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -61.35 115.11 3.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 3.21 110.262 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 46.2 mm -78.47 -41.36 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.035 -0.53 . . . . 3.8199999999999998 110.414 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.557 ' H ' HG21 ' A' ' 802' ' ' ILE . 18.4 m 68.91 148.9 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 123.784 0.677 . . . . 2.29 110.887 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 853' ' ' LEU . 74.1 Cg_endo -76.55 12.28 1.67 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.214 1.943 . . . . 0.96999999999999997 111.871 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.424 ' H ' ' C ' ' A' ' 811' ' ' SER . 49.1 mm 71.29 -53.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.022 -0.99 . . . . 2.0600000000000001 110.39 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 2.5 t 176.78 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 2.4500000000000002 109.585 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.408 ' HE3' ' CA ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -87.06 144.95 26.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.881 -0.6 . . . . 2.9399999999999999 111.711 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 828' ' ' LEU . 15.4 pt -146.27 153.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.427 -0.806 . . . . 1.7 109.858 176.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.721 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.3 mtpt -127.75 146.08 50.7 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.991 -1.115 . . . . 1.96 107.991 174.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.678 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 11.9 p90 -126.67 146.03 50.35 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.495 0.664 . . . . 0.94999999999999996 110.473 -171.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 1.054 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 17.8 tt0 -127.8 143.94 51.11 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.324 -1.307 . . . . 1.3100000000000001 109.503 -174.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -126.07 135.99 52.41 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.406 0.441 . . . . 1.73 109.986 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.493 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.5 tp10 55.43 25.35 7.62 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.01 -1.45 . . . . 3.3799999999999999 110.589 -173.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.421 ' HA ' ' HG2' ' A' ' 819' ' ' GLN . 19.6 t70 51.16 40.09 25.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.023 -0.99 . . . . 5.6299999999999999 110.763 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -129.2 -40.12 0.29 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.179 -1.01 . . . . 1.3899999999999999 113.784 -173.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 2.2 m-20 -128.14 147.06 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.304 0.552 . . . . 1.47 111.674 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.949 ' HD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.73 131.95 53.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.528 0.68 . . . . 1.54 110.369 -172.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.657 HG12 ' CZ ' ' A' ' 818' ' ' TYR . 1.4 p -150.16 150.78 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 113.674 -1.603 . . . . 2.0 108.366 -169.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.721 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.8 p -121.4 134.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.156 -0.965 . . . . 1.8400000000000001 111.009 -166.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 816' ' ' ILE . 0.0 OUTLIER -139.37 159.41 42.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.986 -1.461 . . . . 1.72 110.572 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.14 45.24 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.53 -0.843 . . . . 1.2 112.529 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 34.0 t -144.37 -74.91 0.24 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.786 -0.365 . . . . 2.0899999999999999 110.578 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 27.4 t70 175.93 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 1.79 109.895 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 836' ' ' VAL . 34.0 tt0 -58.64 -44.79 90.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 2.9300000000000002 110.424 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 1.5 p30 -57.22 -47.82 80.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 2.1400000000000001 111.611 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.45 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 28.8 t-105 -66.18 -38.08 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.157 -0.217 . . . . 0.28999999999999998 110.725 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -59.37 -42.24 91.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 110.34 -0.244 . . . . 2.6699999999999999 110.34 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 832' ' ' GLU . 75.2 t -59.63 -45.52 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 2.0499999999999998 110.413 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.29 -51.95 67.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.657 -0.247 . . . . 1.04 111.111 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.45 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 31.3 mtmm -58.39 -47.48 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.592 -0.276 . . . . 1.8700000000000001 111.506 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.42 -41.96 98.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.639 -0.255 . . . . 2.2200000000000002 110.691 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.404 ' HE3' ' HB3' ' A' ' 840' ' ' MET . 10.0 tmm? -56.52 -52.57 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.261 -0.427 . . . . 1.0600000000000001 110.683 175.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.486 HD12 HG22 ' A' ' 785' ' ' VAL . 24.6 mt -60.42 -57.84 11.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.186 0.517 . . . . 1.3 111.334 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.18 81.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 1.1499999999999999 112.23 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -68.58 -51.12 46.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.492 -0.322 . . . . 2.9199999999999999 111.189 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.652 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.6 m120 -69.17 -58.28 4.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.853 -0.339 . . . . 1.6000000000000001 111.588 -175.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.652 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 7.6 p30 158.08 -31.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.884 0.74 . . . . 1.8999999999999999 109.715 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 821' ' ' GLU . 31.4 mp0 -55.5 159.47 2.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.613 -0.721 . . . . 2.9700000000000002 112.421 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 847' ' ' LYS . 1.1 tppt? -153.13 -25.8 0.15 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.76 -0.654 . . . . 2.8599999999999999 110.929 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -65.74 131.26 45.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.056 -0.35 . . . . 0.65000000000000002 110.056 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.595 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 13.2 tp -128.64 145.01 51.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.603 0.716 . . . . 1.29 110.325 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 1.054 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.5 m-80 -128.49 145.09 51.21 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.884 -1.154 . . . . 0.95999999999999996 107.884 177.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.619 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -127.62 129.22 70.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.715 -0.394 . . . . 1.1000000000000001 110.296 -172.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.684 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 55.5 ttt180 -106.99 124.43 49.61 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 116.119 -0.492 . . . . 2.77 110.424 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.507 HD13 ' N ' ' A' ' 853' ' ' LEU . 0.0 OUTLIER -119.75 138.1 53.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.618 -0.882 . . . . 2.1299999999999999 108.618 170.047 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.568 ' HD2' ' HG2' ' A' ' 852' ' ' ARG . 35.9 p90 . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 118.392 -0.814 . . . . 1.77 110.201 -167.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.795 0.331 . . . . 3.5499999999999998 111.154 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 43.0 mt-10 -64.61 137.84 58.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.945 0.402 . . . . 3.25 110.235 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.585 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.3 tp -113.88 134.94 55.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.736 -0.665 . . . . 1.4399999999999999 110.196 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.493 ' HD2' HG13 ' A' ' 851' ' ' ILE . 27.6 t80 -128.68 146.84 50.76 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.76 -0.83 . . . . 0.59999999999999998 108.76 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 98.5 m -126.1 127.17 45.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.384 0.611 . . . . 2.0600000000000001 109.937 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 783' ' ' LEU . 22.6 tp -149.82 146.54 27.2 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.395 -1.275 . . . . 1.4399999999999999 108.743 -172.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.8 tt -126.85 119.83 27.75 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 119.953 -0.699 . . . . 2.0699999999999998 109.649 -174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.707 HG21 HD11 ' A' ' 841' ' ' LEU . 20.0 m -65.51 132.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.705 -1.134 . . . . 1.8 111.978 -170.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -86.86 -120.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 3.0600000000000001 110.788 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -73.11 53.76 0.38 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.332 -0.849 . . . . 2.3900000000000001 112.225 -178.499 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 21.4 t 56.05 74.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.366 0.603 . . . . 1.75 111.142 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.418 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 35.9 m0 -57.92 129.65 42.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.5 -0.773 . . . . 1.24 111.9 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -84.19 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.353 0.596 . . . . 2.4300000000000002 110.531 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 15.8 t80 69.16 -53.23 0.59 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.938 0.895 . . . . 0.60999999999999999 112.484 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.77 -40.88 94.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.838 0.351 . . . . 1.8600000000000001 110.691 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 796' ' ' MET . 1.1 m-20 -65.16 -40.18 93.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 1.3600000000000001 110.41 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 798' ' ' ILE . 6.3 tp -64.02 -44.93 91.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 1.0900000000000001 110.509 176.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 12.8 mm -60.07 -50.8 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 1.26 111.596 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -64.07 -36.68 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.194 -0.202 . . . . 3.2200000000000002 110.903 -177.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.74 87.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.885 0.374 . . . . 1.0900000000000001 110.288 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.68 HD12 HG21 ' A' ' 851' ' ' ILE . 85.7 mt -60.98 -46.21 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 1.3600000000000001 110.524 175.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.626 HD22 ' HD3' ' A' ' 812' ' ' PRO . 3.7 m120 -62.5 -39.78 94.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.741 . . . . 1.21 112.062 -176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 p -69.21 -40.32 78.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 1.8400000000000001 110.552 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -68.06 -57.48 6.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 2.5 112.022 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.44 HD12 HD22 ' A' ' 853' ' ' LEU . 63.1 mt -76.4 137.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 1.5600000000000001 110.186 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 802' ' ' ILE . 66.0 m 64.34 46.24 3.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.835 0.826 . . . . 3.1000000000000001 109.722 -176.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -56.53 -34.15 66.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.281 -1.327 . . . . 5.3799999999999999 111.918 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.99 73.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.046 -0.525 . . . . 5.6699999999999999 111.115 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -79.6 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.644 . . . . 7.1399999999999997 109.762 174.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -118.92 -61.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.216 -0.661 . . . . 6.1900000000000004 109.216 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.452 ' HB3' ' HB3' ' A' ' 799' ' ' ASN . 27.7 m-80 -134.59 136.91 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.712 -0.676 . . . . 5.7699999999999996 110.018 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -63.33 -38.31 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 3.21 110.512 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.44 ' HA ' HD13 ' A' ' 810' ' ' ILE . 50.9 mm 69.2 98.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 115.592 -0.731 . . . . 3.8199999999999998 110.764 178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.2 m 56.72 85.75 0.18 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.058 -0.973 . . . . 2.29 110.969 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.626 ' HD3' HD22 ' A' ' 799' ' ' ASN . 28.0 Cg_exo -60.41 111.1 0.92 Allowed 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.587 2.191 . . . . 0.96999999999999997 111.828 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.793 HG22 HG22 ' A' ' 814' ' ' THR . 48.3 mm 70.7 -67.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.796 -1.093 . . . . 2.0600000000000001 109.394 -171.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.793 HG22 HG22 ' A' ' 813' ' ' ILE . 2.8 t 168.27 -46.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.275 -0.875 . . . . 2.4500000000000002 109.755 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.761 ' HG2' HG21 ' A' ' 814' ' ' THR . 24.5 mmmt -104.52 -44.05 5.0 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.495 . . . . 2.9399999999999999 110.42 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 815' ' ' LYS . 1.4 pt 71.3 149.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 124.963 1.415 . . . . 1.7 110.855 -173.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.958 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 18.2 ttmm -127.47 145.81 50.71 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.226 -1.398 . . . . 1.96 107.226 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.578 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 8.1 p90 -126.81 146.55 50.22 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.226 0.536 . . . . 0.94999999999999996 110.323 -170.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.994 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.4 tt0 -127.55 146.16 50.61 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.531 -1.213 . . . . 1.3100000000000001 108.758 -173.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.569 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 2.8 p30 -125.77 146.33 49.82 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.418 -0.586 . . . . 1.73 109.418 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.7 tp10 -38.72 -40.01 0.56 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.722 -1.126 . . . . 3.3799999999999999 113.249 -170.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.17 -31.81 65.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 5.6299999999999999 111.392 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 113.81 47.95 0.6 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.571 -0.612 . . . . 1.3899999999999999 111.571 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.569 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 33.6 t70 -128.58 147.9 50.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.687 -0.256 . . . . 1.47 110.903 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.59 126.13 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.644 0.735 . . . . 1.54 109.951 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.578 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 44.7 t -136.4 147.88 27.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.408 -1.269 . . . . 2.0 108.38 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.79 139.07 51.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 108.73 -0.841 . . . . 1.8400000000000001 108.73 -175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.534 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.8 pp -128.0 156.62 42.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.559 -0.746 . . . . 1.72 111.97 -166.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.73 -33.37 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 114.951 -1.022 . . . . 1.2 111.365 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -83.89 12.89 5.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.648 0.24 . . . . 2.0899999999999999 111.648 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.69 -47.64 0.65 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.405 0.682 . . . . 1.79 111.705 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 836' ' ' VAL . 81.9 mt-10 -54.59 -36.87 64.88 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.898 0.479 . . . . 2.9300000000000002 111.39 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.534 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -57.31 -44.01 83.76 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.472 0.654 . . . . 2.1400000000000001 110.037 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.604 ' HH2' HG11 ' A' ' 785' ' ' VAL . 27.4 t-105 -65.14 -39.75 93.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.495 -0.775 . . . . 0.28999999999999998 110.86 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.447 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.6 t30 -58.8 -41.39 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.094 -0.336 . . . . 2.6699999999999999 110.094 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 832' ' ' GLU . 95.6 t -58.83 -45.67 91.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.516 -0.765 . . . . 2.0499999999999998 110.426 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.667 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.1 -49.03 78.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 1.04 111.458 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 50.4 mtmt -55.0 -49.57 71.17 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.726 0.298 . . . . 1.8700000000000001 111.037 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.13 -39.97 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 2.2200000000000002 110.665 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.536 ' HE2' ' HB3' ' A' ' 820' ' ' ASP . 36.2 ttp -55.92 -55.36 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.494 . . . . 1.0600000000000001 111.044 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.707 HD11 HG21 ' A' ' 785' ' ' VAL . 15.4 mt -55.57 -55.72 28.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.425 . . . . 1.3 110.768 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.88 62.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.661 -0.7 . . . . 1.1499999999999999 112.681 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.1 -44.81 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.509 0.195 . . . . 2.9199999999999999 111.379 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.655 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.5 m120 -68.12 -57.63 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.889 -0.325 . . . . 1.6000000000000001 110.612 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.655 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 8.1 p30 140.88 -26.31 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.899 1.375 . . . . 1.8999999999999999 108.433 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.456 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 78.9 mt-10 -78.16 88.45 4.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.419 -1.264 . . . . 2.9700000000000002 110.977 -171.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.529 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 13.0 ttmm -81.69 -5.88 58.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.642 -0.708 . . . . 2.8599999999999999 110.567 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.487 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.7 t80 -67.06 126.31 28.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.073 -0.512 . . . . 0.65000000000000002 110.478 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 29.3 tp -128.1 141.27 51.54 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.798 0.808 . . . . 1.29 110.521 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.994 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -129.02 147.01 50.85 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.075 -1.083 . . . . 0.95999999999999996 108.075 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 798' ' ' ILE . 0.1 OUTLIER -125.9 125.33 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.293 0.568 . . . . 1.1000000000000001 109.973 -173.563 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.958 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 7.3 tpt180 -90.47 132.66 35.53 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.85 -1.068 . . . . 2.77 111.138 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.658 ' HB2' ' HB2' ' A' ' 779' ' ' GLU . 1.2 mm? -116.0 136.84 52.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.776 -1.194 . . . . 2.1299999999999999 107.776 166.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.211 -0.9 . . . . 1.77 110.307 -166.561 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.86 0.362 . . . . 3.5499999999999998 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.07 135.42 41.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.274 -0.639 . . . . 3.25 109.274 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.652 HD13 ' HB3' ' A' ' 850' ' ' ASN . 7.0 tp -83.7 138.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 N-CA-C 109.468 -0.568 . . . . 1.4399999999999999 109.468 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.496 ' HD2' HG13 ' A' ' 851' ' ' ILE . 17.5 t80 -127.3 145.39 50.81 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.893 -0.78 . . . . 0.59999999999999998 108.893 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.2 m -126.65 129.76 49.12 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.695 -0.483 . . . . 2.0600000000000001 109.695 -174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.7 tp -149.33 145.07 26.83 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.871 -1.058 . . . . 1.4399999999999999 109.114 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.8 HD22 ' HD2' ' A' ' 847' ' ' LYS . 7.0 tt -128.59 113.64 15.69 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.743 -0.836 . . . . 2.0699999999999998 108.743 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.555 HG22 HD11 ' A' ' 841' ' ' LEU . 22.6 m -63.29 105.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.306 -0.861 . . . . 1.8 111.088 -169.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.29 -41.97 72.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.108 -0.951 . . . . 3.0600000000000001 111.603 -171.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.631 ' HD2' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -140.04 50.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.961 0.41 . . . . 2.3900000000000001 110.557 176.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.802 HG22 ' HD2' ' A' ' 838' ' ' LYS . 1.2 p 65.49 -41.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.565 1.546 . . . . 1.75 113.43 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.631 ' CD1' ' HD2' ' A' ' 787' ' ' LYS . 30.6 m0 66.79 126.66 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.47 0.652 . . . . 1.24 112.153 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -84.49 42.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.917 -0.583 . . . . 2.4300000000000002 110.641 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 34.6 t80 72.28 -50.14 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.202 -0.908 . . . . 0.60999999999999999 112.033 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.14 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 1.8600000000000001 110.669 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -67.99 -40.05 83.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.912 -0.586 . . . . 1.3600000000000001 110.415 176.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.7 tp -61.45 -41.75 97.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.602 -0.726 . . . . 1.0900000000000001 110.355 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.15 -51.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.342 -0.39 . . . . 1.26 111.849 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -62.32 -36.39 82.03 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.955 -0.298 . . . . 3.2200000000000002 110.375 -179.155 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.247 -0.433 . . . . 1.0900000000000001 110.335 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 794' ' ' LEU . 68.0 mt -60.69 -51.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 1.3600000000000001 110.781 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -55.8 -50.74 69.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.576 -0.738 . . . . 1.21 111.759 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 19.5 m -65.25 -45.56 84.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.8400000000000001 111.413 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -68.13 -43.5 78.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.457 0.54 . . . . 2.5 112.457 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 802' ' ' ILE . 25.0 mt -61.71 -56.12 19.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 C-N-CA 120.876 -0.33 . . . . 1.5600000000000001 110.619 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 67.8 m -165.17 128.06 2.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 3.1000000000000001 110.671 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.34 0.04 57.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.177 -0.465 . . . . 5.3799999999999999 110.152 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 6.9 p -80.52 -104.98 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.593 -0.73 . . . . 5.6699999999999999 110.948 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -158.7 123.02 4.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.03 0.443 . . . . 7.1399999999999997 111.361 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 3.4 p30 178.78 -49.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.371 -0.831 . . . . 6.1900000000000004 109.676 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.563 ' HB2' ' HA ' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -161.63 41.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.498 0.666 . . . . 5.7699999999999996 109.897 174.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -79.93 -23.52 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.271 -0.877 . . . . 3.21 110.605 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.22 -51.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.326 -0.62 . . . . 3.8199999999999998 109.326 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.487 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 24.7 m -149.52 134.43 9.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.119 -0.946 . . . . 2.29 108.985 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.563 ' HA ' ' HB2' ' A' ' 808' ' ' ASN . 3.7 Cg_exo -75.36 58.44 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.828 2.352 . . . . 0.96999999999999997 111.829 -177.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 813' ' ' ILE . 11.6 mm 66.63 0.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.281 -0.872 . . . . 2.0600000000000001 111.223 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.456 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 30.8 p 53.96 25.75 5.69 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.324 0.65 . . . . 2.4500000000000002 110.491 -174.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 814' ' ' THR . 3.4 tppt? -144.18 40.95 1.37 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.022 -0.535 . . . . 2.9399999999999999 110.431 -172.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.552 ' CG2' ' HB2' ' A' ' 812' ' ' PRO . 33.4 pt -73.39 154.03 7.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.692 -0.685 . . . . 1.7 110.981 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 37.2 tttp -125.77 143.59 50.99 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 106.605 -1.628 . . . . 1.96 106.605 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.567 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 6.8 p90 -126.49 145.29 50.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.693 0.759 . . . . 0.94999999999999996 110.27 -169.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.955 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.67 147.7 50.76 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.863 -1.517 . . . . 1.3100000000000001 109.689 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.642 ' HB2' ' HE1' ' A' ' 840' ' ' MET . 5.3 t70 -123.79 143.6 50.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.92 -0.771 . . . . 1.73 108.92 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.3 tp10 -45.8 -35.76 4.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.531 -0.759 . . . . 3.3799999999999999 112.485 -171.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.69 -39.87 68.56 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.133 0.492 . . . . 5.6299999999999999 110.9 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 123.96 53.78 0.19 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.665 -0.698 . . . . 1.3899999999999999 111.395 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.536 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 41.6 t0 -128.73 144.92 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.262 -0.175 . . . . 1.47 110.713 -176.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 5.7 m-85 -128.11 126.8 41.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.111 0.482 . . . . 1.54 110.304 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.567 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 58.7 t -147.07 148.91 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.993 -1.114 . . . . 2.0 107.993 -176.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 816' ' ' ILE . 12.3 p -123.35 137.38 56.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.722 -0.844 . . . . 1.8400000000000001 108.722 -174.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.34 153.61 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.217 0.821 . . . . 1.72 113.217 -164.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.87 38.64 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.585 -1.188 . . . . 1.2 111.791 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 9.8 m -156.19 29.18 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.633 0.235 . . . . 2.0899999999999999 111.633 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 65.45 -59.92 0.27 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.566 0.95 . . . . 1.79 113.566 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -61.59 -32.6 72.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.909 0.385 . . . . 2.9300000000000002 111.254 -176.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.538 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 p30 -64.55 -42.51 95.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 2.1400000000000001 111.033 177.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.528 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 27.4 t-105 -67.42 -38.27 84.33 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.486 -0.486 . . . . 0.28999999999999998 109.843 172.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.423 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 3.5 m120 -57.33 -48.53 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 2.6699999999999999 111.225 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 833' ' ' ASP . 32.6 m -65.66 -36.14 76.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.974 -0.29 . . . . 2.0499999999999998 110.831 177.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.52 -45.48 93.69 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.681 -0.407 . . . . 1.04 110.447 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.802 ' HD2' HG22 ' A' ' 788' ' ' VAL . 48.2 mtmt -59.47 -45.19 92.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.297 . . . . 1.8700000000000001 110.331 176.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 96.8 mt-10 -58.42 -46.89 85.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.966 -0.561 . . . . 2.2200000000000002 110.021 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.642 ' HE1' ' HB2' ' A' ' 820' ' ' ASP . 39.7 ttp -52.71 -51.29 61.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.55 -0.75 . . . . 1.0600000000000001 110.606 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.555 HD11 HG22 ' A' ' 785' ' ' VAL . 50.3 mt -60.17 -52.84 63.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.866 -0.606 . . . . 1.3 111.394 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.73 85.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.229 0.455 . . . . 1.1499999999999999 112.229 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.19 -52.9 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 2.9199999999999999 111.165 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.533 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.6 m-80 -66.01 -34.81 78.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.914 -0.584 . . . . 1.6000000000000001 110.83 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.533 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 98.0 -13.35 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.77 1.294 . . . . 1.8999999999999999 109.888 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.22 141.07 49.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.9700000000000002 109.577 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.8 ' HD2' HD22 ' A' ' 784' ' ' LEU . 20.3 ttmm -125.82 -13.03 6.47 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.029 0.442 . . . . 2.8599999999999999 110.655 -170.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.584 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.5 t80 -66.23 124.83 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.497 -0.774 . . . . 0.65000000000000002 110.286 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 819' ' ' GLN . 31.8 tp -128.51 140.85 51.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.785 -0.643 . . . . 1.29 109.407 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.955 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.1 m-80 -130.32 146.55 51.92 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.597 -0.89 . . . . 0.95999999999999996 108.597 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.64 124.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.182 -0.673 . . . . 1.1000000000000001 109.182 -175.185 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.625 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.3 ttt180 -99.91 116.37 31.81 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 115.773 -0.649 . . . . 2.77 109.97 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.565 ' N ' HD21 ' A' ' 853' ' ' LEU . 4.1 mm? -93.73 57.26 2.49 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.661 -0.7 . . . . 2.1299999999999999 109.89 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.392 -0.813 . . . . 1.77 111.114 -174.728 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.223 -0.288 . . . . 3.5499999999999998 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 55.46 45.92 24.21 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.329 1.061 . . . . 3.25 108.483 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -177.67 133.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 112.871 -1.968 . . . . 1.4399999999999999 109.239 -176.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 12.0 t80 -150.15 146.71 27.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.746 -1.205 . . . . 0.59999999999999998 107.746 -172.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.7 t -126.27 130.37 50.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.412 0.625 . . . . 2.0600000000000001 110.497 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.461 HD11 ' HA ' ' A' ' 783' ' ' LEU . 20.8 tp -150.08 147.08 27.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.346 -1.297 . . . . 1.4399999999999999 108.903 -173.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.5 tt -126.45 115.69 19.97 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.417 -0.586 . . . . 2.0699999999999998 109.417 -174.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 16.5 m -71.94 135.91 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.126 -0.943 . . . . 1.8 110.981 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -121.89 -78.83 0.6 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.569 -0.453 . . . . 3.0600000000000001 111.247 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 44.45 0.68 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.147 0.425 . . . . 2.3900000000000001 112.147 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.7 t 43.47 63.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 123.629 0.58 . . . . 1.75 111.309 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 34.2 m0 -51.16 131.29 27.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.115 -0.948 . . . . 1.24 112.333 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.74 42.08 0.83 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.201 0.524 . . . . 2.4300000000000002 110.718 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.434 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 16.1 t80 71.76 -47.67 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.019 0.928 . . . . 0.60999999999999999 111.47 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 796' ' ' MET . 38.4 t70 -57.58 -45.29 85.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.769 0.319 . . . . 1.8600000000000001 110.416 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 18.2 m-20 -61.51 -47.52 85.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.708 -0.678 . . . . 1.3600000000000001 110.321 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.672 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.5 tp -57.46 -48.92 77.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.711 -1.131 . . . . 1.0900000000000001 110.703 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.7 mm -64.08 -36.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.693 0.257 . . . . 1.26 111.693 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.521 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.5 mtp -58.09 -48.43 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.203 -0.295 . . . . 3.2200000000000002 110.203 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.6 98.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0900000000000001 110.782 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.672 HG12 ' O ' ' A' ' 794' ' ' LEU . 36.3 mm -54.26 -57.53 5.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.747 -0.661 . . . . 1.3600000000000001 110.895 177.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.477 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 4.0 m120 -65.3 -43.54 90.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.424 -0.807 . . . . 1.21 112.218 -174.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' SER . . . . . 0.604 ' O ' ' HB2' ' A' ' 804' ' ' ASN . 68.8 m -60.48 -44.98 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 1.8400000000000001 111.131 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -68.91 -40.35 79.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.084 -0.385 . . . . 2.5 111.85 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 798' ' ' ILE . 78.8 mt -65.28 -47.26 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 111.914 0.339 . . . . 1.5600000000000001 111.914 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.5 m -152.22 67.4 0.85 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.447 0.536 . . . . 3.1000000000000001 112.447 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . 0.604 ' HB2' ' O ' ' A' ' 800' ' ' SER . 49.6 t30 -75.19 -38.09 60.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.961 0.41 . . . . 5.3799999999999999 110.883 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 14.1 t -79.88 26.06 0.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.421 0.629 . . . . 5.6699999999999999 111.264 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.437 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 86.5 m-70 -154.05 -148.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.113 -1.069 . . . . 7.1399999999999997 108.113 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.437 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 61.8 m-80 -77.4 133.71 38.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.638 -1.245 . . . . 6.1900000000000004 107.638 168.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 2.5 m120 -75.09 50.82 0.49 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 111.829 0.307 . . . . 5.7699999999999996 111.829 -173.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.445 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 9.3 m120 66.08 -47.18 0.41 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 3.21 113.309 175.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 49.9 mm 77.36 -53.42 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.563 0.745 . . . . 3.8199999999999998 109.485 -172.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 36.7 p -159.4 135.42 6.22 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 114.969 -1.014 . . . . 2.29 108.599 173.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 11.3 Cg_exo -73.63 53.68 2.78 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 123.158 2.572 . . . . 0.96999999999999997 111.62 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 32.5 mm 60.72 24.29 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.788 0.804 . . . . 2.0600000000000001 109.624 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.474 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 43.2 p 50.53 25.81 2.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.978 -1.01 . . . . 2.4500000000000002 111.43 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 814' ' ' THR . 0.0 OUTLIER -128.89 116.1 18.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.67 -0.696 . . . . 2.9399999999999999 109.963 -176.401 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.474 ' O ' HG22 ' A' ' 827' ' ' VAL . 5.7 pt -149.62 143.27 17.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.597 0.713 . . . . 1.7 111.127 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.827 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.4 mtpt -127.43 146.52 50.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.892 -1.049 . . . . 1.96 108.661 175.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.673 ' CZ ' HG13 ' A' ' 826' ' ' VAL . 10.7 p90 -126.66 145.29 50.63 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.348 0.594 . . . . 0.94999999999999996 110.326 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.971 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 14.0 tt0 -128.62 146.0 50.98 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.586 -1.188 . . . . 1.3100000000000001 110.136 -172.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -124.9 138.79 54.23 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.914 -0.402 . . . . 1.73 109.914 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 53.78 24.89 4.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.376 -1.284 . . . . 3.3799999999999999 112.042 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.508 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 23.6 t70 50.12 47.02 24.12 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.669 0.606 . . . . 5.6299999999999999 110.941 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.57 -29.37 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.879 -1.153 . . . . 1.3899999999999999 113.703 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -128.0 146.16 50.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.061 0.43 . . . . 1.47 110.213 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.697 ' HD2' ' HE2' ' A' ' 817' ' ' LYS . 0.2 OUTLIER -125.25 132.96 52.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.543 0.687 . . . . 1.54 110.564 -176.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.673 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 1.4 p -150.08 149.17 14.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 113.696 -1.593 . . . . 2.0 108.464 -172.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.827 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.6 p -123.03 142.6 39.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.342 -0.849 . . . . 1.8400000000000001 110.553 -168.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 4.5 pp -128.65 157.91 40.0 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.201 -0.908 . . . . 1.72 110.541 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.31 -27.21 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.613 -0.804 . . . . 1.2 112.692 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 62.2 m -87.79 20.4 3.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.564 -0.374 . . . . 2.0899999999999999 111.336 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 21.8 t70 69.76 -53.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.669 0.788 . . . . 1.79 112.675 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -53.6 -37.95 63.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.924 0.392 . . . . 2.9300000000000002 111.235 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.543 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -52.98 -40.9 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 2.1400000000000001 110.78 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.499 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 29.1 t-105 -64.53 -44.39 91.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.28999999999999998 111.212 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.428 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 36.9 t30 -61.59 -36.65 81.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.697 -0.483 . . . . 2.6699999999999999 109.697 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 2.0499999999999998 110.567 174.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.82 -46.84 88.97 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.669 -0.241 . . . . 1.04 110.978 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.499 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 48.6 mtmt -56.66 -50.66 71.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.58 0.229 . . . . 1.8700000000000001 111.091 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.33 -40.11 93.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.054 -0.521 . . . . 2.2200000000000002 110.173 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.443 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 40.3 ttp -54.39 -56.79 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.705 -0.68 . . . . 1.0600000000000001 110.551 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 13.0 mt -61.31 -58.17 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 1.3 111.593 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.59 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.491 -0.777 . . . . 1.1499999999999999 112.503 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.73 -53.24 23.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.907 -0.317 . . . . 2.9199999999999999 111.522 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.596 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 73.5 m-20 -69.47 -58.31 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.359 -0.536 . . . . 1.6000000000000001 112.344 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.596 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 3.8 p30 164.99 -29.81 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.287 0.367 . . . . 1.8999999999999999 110.927 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' ' 844' ' ' ASN . 45.8 mp0 -60.23 168.82 1.83 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.736 -0.665 . . . . 2.9700000000000002 112.301 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -162.78 -31.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 2.8599999999999999 110.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -65.35 124.83 23.28 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.65000000000000002 110.018 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 21.0 tp -128.55 143.79 51.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.317 0.58 . . . . 1.29 110.334 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.971 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 69.4 m-80 -128.96 145.4 51.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.635 -0.711 . . . . 0.95999999999999996 109.142 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.75 130.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.003 -0.369 . . . . 1.1000000000000001 110.003 -171.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.579 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 58.4 ttt180 -107.45 132.78 52.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.41 -0.516 . . . . 2.77 111.127 175.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.79 140.74 34.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.481 -1.303 . . . . 2.1299999999999999 107.481 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 22.7 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.46 -0.781 . . . . 1.77 110.605 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 47.9 m . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.756 0.312 . . . . 3.5499999999999998 111.092 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 39.6 mt-10 -62.99 127.97 33.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.158 -0.682 . . . . 3.25 109.158 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -106.8 130.62 58.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.509 0.671 . . . . 1.4399999999999999 110.253 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.671 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.9 t80 -128.65 146.42 50.87 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.012 -0.994 . . . . 0.59999999999999998 108.878 -177.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 65.2 m -126.79 126.3 43.16 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.179 0.514 . . . . 2.0600000000000001 109.967 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.432 HD21 HD13 ' A' ' 798' ' ' ILE . 33.9 tp -150.21 145.84 26.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.563 -1.199 . . . . 1.4399999999999999 109.213 -170.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.868 HD21 ' HE3' ' A' ' 847' ' ' LYS . 8.0 mp -128.16 129.52 46.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.232 -0.655 . . . . 2.0699999999999998 109.232 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.6 HG13 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -63.93 122.0 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.627 -0.715 . . . . 1.8 111.355 -171.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.02 -45.87 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.727 -1.124 . . . . 3.0600000000000001 111.606 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -140.64 53.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.42 . . . . 2.3900000000000001 110.476 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 78.5 t 72.1 -52.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.393 -0.821 . . . . 1.75 111.631 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.461 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 49.8 m0 68.66 115.21 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.67 0.606 . . . . 1.24 111.879 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -80.28 41.14 0.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.763 -0.653 . . . . 2.4300000000000002 111.359 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.474 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.6 t80 70.73 -48.59 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.86 0.864 . . . . 0.60999999999999999 111.29 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.588 ' O ' ' HG3' ' A' ' 796' ' ' MET . 50.3 m-20 -61.45 -43.93 98.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.725 -0.216 . . . . 1.8600000000000001 110.489 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.43 -46.49 89.83 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.317 0.58 . . . . 1.3600000000000001 110.697 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.2 tp -59.02 -48.08 82.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.855 -1.066 . . . . 1.0900000000000001 110.669 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.425 ' HA ' ' HB ' ' A' ' 798' ' ' ILE . 21.7 mm -66.56 -36.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 111.813 0.301 . . . . 1.26 111.813 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 91.7 mtp -57.78 -45.51 85.9 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.944 -0.391 . . . . 3.2200000000000002 109.944 176.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.29 94.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.749 -0.659 . . . . 1.0900000000000001 110.337 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 794' ' ' LEU . 20.4 mm -53.93 -53.93 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.458 -0.792 . . . . 1.3600000000000001 111.225 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.484 ' ND2' HD21 ' A' ' 809' ' ' ASN . 2.4 m120 -63.95 -44.92 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 1.21 111.446 -176.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.5 t -64.31 -52.75 56.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.278 -0.419 . . . . 1.8400000000000001 111.135 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.97 -48.73 62.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.43 0.53 . . . . 2.5 112.43 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.413 HD12 HG22 ' A' ' 798' ' ' ILE . 75.6 mt -68.79 -59.84 3.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.69 0.281 . . . . 1.5600000000000001 111.039 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.1 m -82.2 42.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.209 0.528 . . . . 3.1000000000000001 110.676 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.224 -0.898 . . . . 5.3799999999999999 110.371 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 4.9 p -69.95 -44.38 69.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.155 -0.93 . . . . 5.6699999999999999 111.15 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 807' ' ' ASN . 31.5 m170 -76.88 -40.83 46.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 7.1399999999999997 111.131 -177.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 806' ' ' HIS . 75.3 m-80 74.49 26.04 1.55 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 6.1900000000000004 110.311 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 178.08 140.1 0.09 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.102 -1.408 . . . . 5.7699999999999996 108.04 174.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.484 HD21 ' ND2' ' A' ' 799' ' ' ASN . 51.8 t30 -145.11 -42.07 0.23 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.333 -0.547 . . . . 3.21 111.439 -172.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 46.7 mm 75.57 -49.3 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.433 0.693 . . . . 3.8199999999999998 111.608 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.455 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 67.4 p -162.07 132.41 3.51 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.176 -0.466 . . . . 2.29 110.084 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.549 ' O ' HG22 ' A' ' 813' ' ' ILE . 2.6 Cg_endo -82.21 55.2 5.3 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.754 2.97 . . . . 0.96999999999999997 111.273 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.73 HG21 ' HG2' ' A' ' 815' ' ' LYS . 3.0 tp 66.57 -1.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.301 1.04 . . . . 2.0600000000000001 112.34 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 43.8 p 64.3 -15.18 0.08 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.859 1.264 . . . . 2.4500000000000002 113.019 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.73 ' HG2' HG21 ' A' ' 813' ' ' ILE . 1.4 mmpt? -84.51 45.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.69 -0.485 . . . . 2.9399999999999999 109.69 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 38.6 pt -76.86 148.6 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.671 0.748 . . . . 1.7 110.897 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.839 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 31.9 ttmt -127.35 141.77 51.61 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.859 -1.163 . . . . 1.96 107.859 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.69 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.9 p90 -127.99 146.24 50.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.185 0.516 . . . . 0.94999999999999996 109.949 -172.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.74 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -128.03 145.85 50.86 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.943 -1.026 . . . . 1.3100000000000001 110.66 -172.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.576 ' HB2' ' HE2' ' A' ' 840' ' ' MET . 19.7 t0 -125.75 140.71 52.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.874 -0.603 . . . . 1.73 109.672 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 821' ' ' GLU . 23.9 tt0 61.06 12.39 3.96 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.235 -0.893 . . . . 3.3799999999999999 111.228 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 7.0 t70 56.75 52.54 9.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 5.6299999999999999 109.989 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -165.1 -17.5 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.156 -1.021 . . . . 1.3899999999999999 114.617 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 22.3 t70 -127.54 145.97 50.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.559 0.679 . . . . 1.47 109.981 -178.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.69 133.07 52.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.493 0.664 . . . . 1.54 111.426 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.69 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 32.4 t -138.56 148.81 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.831 -1.077 . . . . 2.0 108.838 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.796 HG23 ' HG3' ' A' ' 817' ' ' LYS . 45.7 t -122.68 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 108.83 -0.804 . . . . 1.8400000000000001 108.83 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 4.5 pp -130.77 148.13 52.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.565 -0.743 . . . . 1.72 111.36 -172.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -139.44 -42.02 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.487 -1.445 . . . . 1.2 109.487 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 44.5 t -82.56 141.04 32.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.787 -0.82 . . . . 2.0899999999999999 108.787 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -63.77 -9.99 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.212 0.449 . . . . 1.79 112.212 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -62.23 -47.37 84.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 2.9300000000000002 111.172 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.17 -36.81 83.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.204 0.526 . . . . 2.1400000000000001 109.828 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.6 ' HH2' HG13 ' A' ' 785' ' ' VAL . 36.0 t-105 -64.77 -40.15 94.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.28999999999999998 110.429 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 21.6 t30 -58.37 -43.91 88.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.628 -0.508 . . . . 2.6699999999999999 109.628 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.48 -44.88 85.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.211 -0.904 . . . . 2.0499999999999998 110.69 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.11 99.46 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.354 -0.384 . . . . 1.04 111.625 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -58.52 -49.06 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.799 0.333 . . . . 1.8700000000000001 110.237 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 45.4 mt-10 -61.44 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.865 -0.607 . . . . 2.2200000000000002 110.171 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.576 ' HE2' ' HB2' ' A' ' 820' ' ' ASP . 50.8 ttp -57.24 -53.48 57.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.504 -0.771 . . . . 1.0600000000000001 111.273 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.966 ' HG ' ' HA ' ' A' ' 847' ' ' LYS . 3.5 mp -59.34 -50.52 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.204 -0.453 . . . . 1.3 111.552 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.05 -50.33 64.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 1.1499999999999999 111.931 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.73 -50.83 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 2.9199999999999999 111.173 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 69.4 m-80 -67.95 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.142 -0.481 . . . . 1.6000000000000001 111.454 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.59 -3.83 0.15 Allowed 'General case' 0 N--CA 1.483 1.207 0 O-C-N 124.666 1.229 . . . . 1.8999999999999999 111.223 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 848' ' ' PHE . 3.0 mm-40 -60.55 -57.22 13.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.872 -0.331 . . . . 2.9700000000000002 110.674 -175.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.966 ' HA ' ' HG ' ' A' ' 841' ' ' LEU . 37.9 ttpt 67.93 -24.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.182 0.808 . . . . 2.8599999999999999 113.182 172.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.465 ' H ' ' C ' ' A' ' 846' ' ' GLU . 5.4 t80 -62.71 124.78 21.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.312 -0.625 . . . . 0.65000000000000002 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.6 HD21 ' HD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -127.8 138.32 52.69 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.619 0.724 . . . . 1.29 109.624 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.74 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 61.8 m-80 -128.06 145.64 50.93 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.02 -1.104 . . . . 0.95999999999999996 108.02 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.671 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.59 124.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 109.292 -0.633 . . . . 1.1000000000000001 109.292 -170.78 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.839 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 60.0 ttt180 -110.23 123.46 49.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.927 -0.579 . . . . 2.77 111.222 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.534 HD23 ' N ' ' A' ' 853' ' ' LEU . 2.2 mm? -101.05 122.99 44.53 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.407 -1.331 . . . . 2.1299999999999999 107.407 169.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.447 -0.787 . . . . 1.77 110.486 -172.81 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.002 0.429 . . . . 3.5499999999999998 110.693 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.29 121.35 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.496 . . . . 3.25 110.071 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.806 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -74.3 137.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.529 0.68 . . . . 1.4399999999999999 110.068 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.536 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -127.64 144.32 51.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.243 -1.021 . . . . 0.59999999999999998 108.243 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.4 t -126.85 131.98 51.08 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.253 -0.647 . . . . 2.0600000000000001 109.253 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 797' ' ' ALA . 15.2 tp -150.1 146.42 26.91 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.607 -1.178 . . . . 1.4399999999999999 109.397 -166.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.1 mp -126.49 119.58 27.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.418 -0.586 . . . . 2.0699999999999998 109.418 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.714 HG21 HD13 ' A' ' 841' ' ' LEU . 27.5 m -70.37 61.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.615 -1.175 . . . . 1.8 113.545 -168.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.642 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 68.4 mm-40 -60.27 146.28 44.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.309 -0.859 . . . . 3.0600000000000001 110.871 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 786' ' ' GLU . 34.2 pttt 62.05 2.4 0.79 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.166 0.986 . . . . 2.3900000000000001 112.846 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 60.2 t 60.55 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.612 0.72 . . . . 1.75 111.423 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.528 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 15.8 m0 -70.38 135.1 48.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.259 -0.882 . . . . 1.24 111.344 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 40.5 t30 -68.44 -43.07 77.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.355 -0.538 . . . . 2.4300000000000002 110.523 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 170.05 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.479 -1.237 . . . . 0.60999999999999999 110.056 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -62.06 -36.29 81.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.764 -0.458 . . . . 1.8600000000000001 109.764 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.5 OUTLIER -61.11 -42.22 98.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.303 0.573 . . . . 1.3600000000000001 110.19 176.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.543 HD23 ' CZ2' ' A' ' 834' ' ' TRP . 0.9 OUTLIER -65.89 -44.28 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 1.0900000000000001 110.04 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.74 -42.72 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 1.26 110.767 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.917 ' HA ' ' HE3' ' A' ' 796' ' ' MET . 0.3 OUTLIER -61.04 -42.93 99.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.531 -0.304 . . . . 3.2200000000000002 111.431 177.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' A' ' 783' ' ' LEU . . . -61.58 -42.88 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 1.0900000000000001 110.241 177.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.48 HD12 HD11 ' A' ' 794' ' ' LEU . 80.4 mt -61.8 -50.74 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.513 -0.767 . . . . 1.3600000000000001 110.755 175.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.59 -42.54 92.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.686 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.2 p -68.36 -49.51 59.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.412 -0.358 . . . . 1.8400000000000001 111.053 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -69.49 -53.78 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.087 0.402 . . . . 2.5 112.087 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.467 HG22 HD11 ' A' ' 802' ' ' ILE . 29.7 mt -71.16 119.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.5600000000000001 110.267 178.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.5 m -158.06 36.79 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 3.1000000000000001 110.035 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -59.51 -35.02 73.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.501 -0.772 . . . . 5.3799999999999999 109.849 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 20.1 m -81.28 135.91 35.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.103 -0.953 . . . . 5.6699999999999999 110.049 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -72.97 50.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 7.1399999999999997 111.997 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -154.08 35.43 0.43 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.564 -0.902 . . . . 6.1900000000000004 108.564 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.6 m120 55.55 -117.23 1.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.882 -1.053 . . . . 5.7699999999999996 109.407 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -170.91 121.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 3.21 110.585 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 810' ' ' ILE . 1.7 mp -97.35 -42.55 11.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 3.8199999999999998 109.397 178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.458 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 68.9 m -143.51 137.11 14.24 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.276 -0.874 . . . . 2.29 109.782 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.8 Cg_exo -76.17 66.55 7.0 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.597 2.865 . . . . 0.96999999999999997 111.413 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.411 ' HB ' ' O ' ' A' ' 812' ' ' PRO . 46.9 mm 71.47 -82.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 2.0600000000000001 109.364 -172.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 160.0 -47.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.431 1.492 . . . . 2.4500000000000002 109.049 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 0.8 OUTLIER -78.88 60.17 2.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.59 -0.732 . . . . 2.9399999999999999 110.492 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.437 HD13 HD13 ' A' ' 828' ' ' LEU . 26.1 pt -65.17 144.52 14.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.517 0.675 . . . . 1.7 110.711 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.965 ' HG3' HG22 ' A' ' 827' ' ' VAL . 40.3 tttp -126.45 137.74 53.44 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 107.222 -1.399 . . . . 1.96 107.222 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.518 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.1 p90 -126.55 145.65 50.44 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.298 0.57 . . . . 0.94999999999999996 110.301 -171.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 1.012 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 38.0 tt0 -128.84 142.61 50.91 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 113.893 -1.503 . . . . 1.3100000000000001 109.426 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -126.55 137.94 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.022 0.439 . . . . 1.73 111.449 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.555 ' HB2' ' HG2' ' A' ' 846' ' ' GLU . 16.3 tp10 45.47 37.42 3.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.837 -1.529 . . . . 3.3799999999999999 111.447 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.885 ' HA ' HE21 ' A' ' 819' ' ' GLN . 33.2 t0 50.54 52.26 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.173 -0.921 . . . . 5.6299999999999999 111.61 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -154.95 -38.06 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 119.324 -1.417 . . . . 1.3899999999999999 115.068 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.546 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 27.5 t70 -127.88 148.54 50.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.788 0.794 . . . . 1.47 111.69 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.861 ' HB3' ' HE3' ' A' ' 817' ' ' LYS . 13.7 m-85 -124.09 136.5 54.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.57 0.7 . . . . 1.54 111.218 -172.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 42.6 t -145.6 149.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.368 -1.287 . . . . 2.0 108.93 -175.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.965 HG22 ' HG3' ' A' ' 817' ' ' LYS . 79.6 t -122.76 128.86 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.957 -0.757 . . . . 1.8400000000000001 108.957 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 816' ' ' ILE . 3.4 pp -128.63 150.51 50.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.706 -0.679 . . . . 1.72 111.033 -171.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -160.21 35.12 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.521 -1.432 . . . . 1.2 109.521 174.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.1 m -160.33 141.64 12.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.87 -1.165 . . . . 2.0899999999999999 107.918 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -51.27 -40.3 58.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.989 -0.55 . . . . 1.79 112.348 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.64 -45.1 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.472 0.545 . . . . 2.9300000000000002 112.472 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.449 ' O ' HG21 ' A' ' 836' ' ' VAL . 12.7 t0 -63.64 -37.81 88.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.185 0.517 . . . . 2.1400000000000001 110.355 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.543 ' CZ2' HD23 ' A' ' 794' ' ' LEU . 26.5 t-105 -67.54 -43.26 81.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.96 -0.563 . . . . 0.28999999999999998 109.807 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.448 ' HA ' ' HZ1' ' A' ' 838' ' ' LYS . 52.1 t30 -57.86 -46.93 84.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 2.6699999999999999 111.113 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 833' ' ' ASP . 24.1 m -66.06 -36.24 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 121.164 -0.214 . . . . 2.0499999999999998 110.694 176.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.38 88.68 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.414 -0.217 . . . . 1.04 110.414 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.448 ' HZ1' ' HA ' ' A' ' 835' ' ' ASN . 23.2 mtmm -58.76 -46.88 86.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 121.032 -0.267 . . . . 1.8700000000000001 110.506 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.59 -43.83 84.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 2.2200000000000002 110.094 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -55.41 -52.4 63.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 1.0600000000000001 110.731 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.714 HD13 HG21 ' A' ' 785' ' ' VAL . 24.3 mt -61.23 -57.79 10.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 1.3 111.465 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.38 80.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.758 0.651 . . . . 1.1499999999999999 112.758 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.25 -46.72 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.647 -0.251 . . . . 2.9199999999999999 111.558 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.568 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.3 m-80 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.569 -0.452 . . . . 1.6000000000000001 111.677 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.568 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 14.3 p30 156.4 -27.69 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.758 -0.83 . . . . 1.8999999999999999 108.758 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.555 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 7.8 mt-10 -63.68 157.78 23.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.752 -1.567 . . . . 2.9700000000000002 113.0 -171.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -147.9 -28.81 0.33 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.559 -0.746 . . . . 2.8599999999999999 110.065 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.53 ' HE2' HD22 ' A' ' 850' ' ' ASN . 9.1 t80 -55.89 124.04 16.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.131 -0.486 . . . . 0.65000000000000002 110.017 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 33.4 tp -129.23 139.69 51.75 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.282 -0.636 . . . . 1.29 109.282 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 76.4 m-20 -128.77 146.7 50.83 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.521 -0.918 . . . . 0.95999999999999996 108.521 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.7 OUTLIER -126.1 124.22 65.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 108.97 -0.752 . . . . 1.1000000000000001 108.97 -175.34 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.682 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 69.4 ttt180 -103.35 115.48 30.62 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.835 -0.62 . . . . 2.77 109.716 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -95.62 61.68 2.29 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.938 -0.764 . . . . 2.1299999999999999 108.938 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.276 -0.869 . . . . 1.77 111.137 -172.557 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' ' 853' ' ' LEU . 52.3 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.278 0.561 . . . . 3.5499999999999998 110.569 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.53 131.12 4.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.146 -0.933 . . . . 3.25 109.248 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 850' ' ' ASN . 2.4 mm -81.04 138.42 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.681 0.753 . . . . 1.4399999999999999 110.47 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 30.7 t80 -126.87 145.45 50.65 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.415 -1.698 . . . . 0.59999999999999998 106.415 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 24.4 m -125.87 131.15 52.43 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.794 -0.762 . . . . 2.0600000000000001 110.446 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.431 HD21 ' CZ3' ' A' ' 789' ' ' TRP . 44.2 tp -150.42 146.87 26.94 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.486 -1.234 . . . . 1.4399999999999999 109.502 -171.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.39 120.26 29.37 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.171 -0.677 . . . . 2.0699999999999998 109.171 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.643 HG11 ' CE3' ' A' ' 789' ' ' TRP . 4.0 t -65.75 101.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.616 -1.175 . . . . 1.8 111.157 -170.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.1 -46.75 64.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.841 -1.072 . . . . 3.0600000000000001 112.507 -170.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 20.8 pttp -141.51 49.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.592 -0.443 . . . . 2.3900000000000001 111.592 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.769 HG11 ' HD2' ' A' ' 838' ' ' LYS . 53.8 t 70.04 -55.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.057 -0.519 . . . . 1.75 111.996 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.643 ' CE3' HG11 ' A' ' 785' ' ' VAL . 43.9 m0 71.09 137.0 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.568 0.699 . . . . 1.24 112.128 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.16 36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.941 -0.572 . . . . 2.4300000000000002 109.847 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.546 ' HD1' HD22 ' A' ' 794' ' ' LEU . 17.5 t80 71.18 -47.09 0.65 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.751 0.82 . . . . 0.60999999999999999 111.095 -176.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 796' ' ' MET . 44.3 m-20 -60.12 -41.09 91.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 1.8600000000000001 110.337 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 789' ' ' TRP . 2.5 m-20 -63.75 -43.4 96.54 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.487 0.661 . . . . 1.3600000000000001 109.848 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.546 HD22 ' HD1' ' A' ' 791' ' ' PHE . 7.3 tp -61.11 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 1.0900000000000001 110.165 178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.568 HG23 ' HD3' ' A' ' 812' ' ' PRO . 23.3 mm -57.25 -48.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 1.26 111.01 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 23.0 mmt -64.03 -43.18 96.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 3.2200000000000002 111.213 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.19 82.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.578 -0.283 . . . . 1.0900000000000001 110.393 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.591 ' O ' HG13 ' A' ' 802' ' ' ILE . 76.5 mt -59.93 -51.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 1.3600000000000001 110.469 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.456 HD21 ' HA ' ' A' ' 799' ' ' ASN . 0.1 OUTLIER -56.0 -51.33 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.058 -0.519 . . . . 1.21 112.101 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.9 t -63.48 -44.71 93.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.457 . . . . 1.8400000000000001 110.396 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -68.16 -37.03 80.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.61 . . . . 2.5 111.715 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 798' ' ' ILE . 31.7 mt -56.54 -47.96 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 120.586 0.232 . . . . 1.5600000000000001 110.406 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 6.7 t -174.3 122.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.072 -0.513 . . . . 3.1000000000000001 109.812 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.7 52.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.356 0.598 . . . . 5.3799999999999999 109.755 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.45 HG21 ' OD1' ' A' ' 807' ' ' ASN . 14.3 t -97.86 -30.25 12.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.401 -0.818 . . . . 5.6699999999999999 111.271 -172.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.1 m170 68.75 57.4 0.42 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.498 0.555 . . . . 7.1399999999999997 112.498 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.45 ' OD1' HG21 ' A' ' 805' ' ' THR . 4.4 p30 -154.43 -56.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.553 . . . . 6.1900000000000004 109.977 172.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.414 ' N ' HD21 ' A' ' 808' ' ' ASN . 2.1 m120 -88.27 39.14 0.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.708 -0.479 . . . . 5.7699999999999996 109.708 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.441 ' HA ' ' ND2' ' A' ' 799' ' ' ASN . 5.4 m120 -123.42 31.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 3.21 110.643 -176.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 42.5 mm -84.97 -47.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.213 -1.032 . . . . 3.8199999999999998 108.213 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.45 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 3.4 t -152.07 135.51 9.49 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 113.813 -1.54 . . . . 2.29 107.257 171.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.568 ' HD3' HG23 ' A' ' 795' ' ' ILE . 9.7 Cg_exo -73.94 43.89 0.89 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 122.827 2.351 . . . . 0.96999999999999997 112.49 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.496 ' O ' HG21 ' A' ' 816' ' ' ILE . 50.3 mm 68.59 108.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 O-C-N 123.974 0.796 . . . . 2.0600000000000001 109.574 -175.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -17.49 63.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.244 -0.434 . . . . 2.4500000000000002 111.553 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 46.86 1.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.024 -0.535 . . . . 2.9399999999999999 110.187 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.513 ' O ' HG21 ' A' ' 827' ' ' VAL . 1.4 pt -87.36 153.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.452 0.644 . . . . 1.7 110.311 177.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 57.1 mttt -127.53 147.0 50.33 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.898 -1.046 . . . . 1.96 108.807 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.636 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 2.8 p90 -125.29 143.52 50.92 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.604 0.716 . . . . 0.94999999999999996 109.486 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 1.006 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 41.5 tt0 -128.54 147.31 50.69 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 113.547 -1.661 . . . . 1.3100000000000001 109.081 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.653 ' HB2' ' HE2' ' A' ' 840' ' ' MET . 3.7 t70 -124.46 145.77 49.32 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.843 -0.799 . . . . 1.73 108.843 -175.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 44.2 tt0 -42.09 -34.71 0.77 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.103 0.877 . . . . 3.3799999999999999 112.505 -172.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.72 -35.42 63.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.24 0.543 . . . . 5.6299999999999999 110.997 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 111.46 54.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.625 -0.99 . . . . 1.3899999999999999 110.625 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.567 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 29.2 t70 -128.11 145.71 50.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.278 . . . . 1.47 110.478 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.425 ' HE1' ' HB2' ' A' ' 852' ' ' ARG . 2.7 m-85 -126.4 129.96 49.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.248 0.547 . . . . 1.54 110.504 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.636 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 52.6 t -145.27 148.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 114.928 -1.033 . . . . 2.0 108.613 -177.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 816' ' ' ILE . 8.2 p -123.22 127.87 74.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.678 -0.86 . . . . 1.8400000000000001 108.678 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.502 ' C ' HD12 ' A' ' 828' ' ' LEU . 2.8 pp -128.6 164.12 23.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.008 -0.996 . . . . 1.72 112.277 -166.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 175.39 39.53 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.217 -0.901 . . . . 1.2 112.325 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 33.9 t -143.71 -84.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.966 -0.294 . . . . 2.0899999999999999 110.947 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 26.5 t0 179.9 -49.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.733 -0.469 . . . . 1.79 109.733 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.19 -37.47 77.47 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.685 -0.689 . . . . 2.9300000000000002 111.338 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.541 ' O ' HG22 ' A' ' 836' ' ' VAL . 1.3 p30 -61.21 -46.16 91.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.441 -0.799 . . . . 2.1400000000000001 110.686 176.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.609 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.1 t-105 -65.54 -41.07 93.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.623 . . . . 0.28999999999999998 110.244 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.432 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 26.5 t-20 -56.39 -48.06 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 2.6699999999999999 111.139 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 833' ' ' ASP . 32.8 m -65.08 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.677 -0.409 . . . . 2.0499999999999998 111.002 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.24 -46.18 90.69 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.768 -0.373 . . . . 1.04 110.48 174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.769 ' HD2' HG11 ' A' ' 788' ' ' VAL . 51.4 mtmt -59.57 -45.96 90.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 1.8700000000000001 111.069 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -57.83 -47.32 83.0 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.898 -0.408 . . . . 2.2200000000000002 109.898 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.653 ' HE2' ' HB2' ' A' ' 820' ' ' ASP . 39.3 ttp -51.15 -57.27 9.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 1.0600000000000001 111.188 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.01 -57.38 13.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 1.3 111.839 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.63 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.711 0.634 . . . . 1.1499999999999999 112.711 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.96 -48.87 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.074 -0.25 . . . . 2.9199999999999999 110.721 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.699 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.9 m120 -69.1 -58.24 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.461 -0.496 . . . . 1.6000000000000001 111.03 -177.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.699 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 2.9 p30 153.12 -29.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.907 0.883 . . . . 1.8999999999999999 109.989 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -66.5 163.63 18.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.469 0.652 . . . . 2.9700000000000002 112.416 -170.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.569 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 75.8 tttt -146.59 -11.88 0.46 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.275 -0.875 . . . . 2.8599999999999999 110.55 -175.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.447 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 6.5 t80 -67.31 123.89 21.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.052 -0.351 . . . . 0.65000000000000002 110.052 178.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 819' ' ' GLN . 20.4 tp -129.61 139.95 51.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.565 -0.743 . . . . 1.29 109.57 178.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 1.006 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.5 m-80 -128.36 146.36 50.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.384 -0.969 . . . . 0.95999999999999996 108.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.645 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -126.59 124.12 64.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 109.41 -0.589 . . . . 1.1000000000000001 109.41 -174.379 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.651 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -99.17 119.49 37.95 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 120.75 -0.38 . . . . 2.77 110.915 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.6 HD23 ' N ' ' A' ' 853' ' ' LEU . 2.6 mm? -93.21 140.67 29.28 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.082 -1.451 . . . . 2.1299999999999999 107.082 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.525 ' HD2' ' HD3' ' A' ' 852' ' ' ARG . 23.4 p90 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.996 -0.526 . . . . 1.77 110.648 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 119.133 -0.46 . . . . 3.5499999999999998 110.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 39.54 47.08 1.56 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-O 122.383 1.087 . . . . 3.25 110.604 -173.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER 171.73 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 CA-C-N 112.863 -1.971 . . . . 1.4399999999999999 108.779 -177.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.543 ' HD2' HG13 ' A' ' 851' ' ' ILE . 13.1 t80 -149.28 145.62 27.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.092 -1.447 . . . . 0.59999999999999998 107.092 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 86.2 m -126.39 127.19 45.08 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.215 0.531 . . . . 2.0600000000000001 109.97 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.93 146.56 27.13 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.033 -1.44 . . . . 1.4399999999999999 109.683 -166.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.4 mp -126.76 121.38 31.81 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.676 -0.861 . . . . 2.0699999999999998 108.676 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.802 HG21 ' CE3' ' A' ' 789' ' ' TRP . 4.5 p -67.14 112.27 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.735 -0.666 . . . . 1.8 110.44 -172.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.41 -49.33 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.878 -1.056 . . . . 3.0600000000000001 112.392 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 788' ' ' VAL . 0.0 OUTLIER -126.71 45.13 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.93 -0.308 . . . . 2.3900000000000001 110.934 -177.352 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.492 HG21 ' HZ2' ' A' ' 838' ' ' LYS . 0.3 OUTLIER 71.39 -41.73 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 123.886 0.874 . . . . 1.75 112.556 177.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.802 ' CE3' HG21 ' A' ' 785' ' ' VAL . 53.5 m0 61.02 115.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.311 0.856 . . . . 1.24 113.311 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -84.25 44.94 1.06 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.511 -0.768 . . . . 2.4300000000000002 110.483 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.471 ' HB2' ' HD1' ' A' ' 834' ' ' TRP . 46.8 t80 68.77 -54.22 0.55 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.164 0.986 . . . . 0.60999999999999999 112.365 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.28 -37.53 75.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.453 0.644 . . . . 1.8600000000000001 109.702 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -64.48 -46.44 82.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.744 -1.117 . . . . 1.3600000000000001 110.205 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.568 HD11 HD12 ' A' ' 798' ' ' ILE . 3.4 tp -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.976 -1.011 . . . . 1.0900000000000001 110.331 177.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.58 -53.52 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 1.26 111.758 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -62.43 -36.26 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.135 -0.226 . . . . 3.2200000000000002 110.651 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.31 90.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.377 -0.374 . . . . 1.0900000000000001 110.274 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.568 HD12 HD11 ' A' ' 794' ' ' LEU . 69.9 mt -59.98 -49.11 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.743 -0.662 . . . . 1.3600000000000001 110.748 175.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -57.61 -48.28 79.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 1.21 111.45 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 33.6 m -68.2 -43.87 77.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.206 -0.452 . . . . 1.8400000000000001 111.24 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.446 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 44.8 tttm -68.26 -47.37 67.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 2.5 111.541 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.966 HG22 HG23 ' A' ' 805' ' ' THR . 9.7 mt -78.25 77.44 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.595 0.712 . . . . 1.5600000000000001 110.312 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.523 ' HA ' ' HA ' ' A' ' 807' ' ' ASN . 13.4 m -78.58 -29.53 46.22 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.399 -0.819 . . . . 3.1000000000000001 111.13 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -57.86 -52.27 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.841 0.682 . . . . 5.3799999999999999 112.841 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.966 HG23 HG22 ' A' ' 802' ' ' ILE . 3.8 t -64.51 -44.66 90.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.25 0.463 . . . . 5.6699999999999999 112.25 -173.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.514 ' HB2' ' OD1' ' A' ' 809' ' ' ASN . 90.7 m-70 -150.41 -35.74 0.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.506 -0.121 . . . . 7.1399999999999997 110.961 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.523 ' HA ' ' HA ' ' A' ' 803' ' ' SER . 36.6 t30 75.4 -66.85 0.27 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.745 -0.661 . . . . 6.1900000000000004 110.137 -171.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.12 56.94 2.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.655 0.74 . . . . 5.7699999999999996 109.963 171.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.514 ' OD1' ' HB2' ' A' ' 806' ' ' HIS . 70.8 m-80 -61.23 -46.58 89.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.828 -1.078 . . . . 3.21 112.365 -173.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 48.2 mm 73.1 -43.89 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.199 0.6 . . . . 3.8199999999999998 110.622 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.45 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 12.6 p -155.05 128.96 4.59 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.883 -0.599 . . . . 2.29 109.498 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.476 ' C ' ' H ' ' A' ' 814' ' ' THR . 4.0 Cg_exo -79.89 58.9 7.2 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.368 2.712 . . . . 0.96999999999999997 111.971 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.517 ' C ' ' H ' ' A' ' 815' ' ' LYS . 17.1 mm 73.07 -18.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.515 0.726 . . . . 2.0600000000000001 111.611 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.476 ' H ' ' C ' ' A' ' 812' ' ' PRO . 13.3 p 71.8 -17.99 0.32 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.654 1.181 . . . . 2.4500000000000002 110.75 -173.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.771 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.7 mmpt? -84.84 44.13 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 2.9399999999999999 111.038 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.469 HG13 HD12 ' A' ' 828' ' ' LEU . 23.7 pt -80.66 142.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.252 1.025 . . . . 1.7 111.657 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.666 ' HG3' HG22 ' A' ' 827' ' ' VAL . 39.3 ttmt -126.62 143.37 51.24 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.702 -1.59 . . . . 1.96 106.767 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.653 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.6 p90 -126.28 145.3 50.47 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.714 0.769 . . . . 0.94999999999999996 110.166 -172.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.931 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.31 147.71 50.63 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.76 -1.564 . . . . 1.3100000000000001 108.663 -173.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -123.95 145.33 49.23 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.427 -0.583 . . . . 1.73 109.427 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.776 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.0 tp10 -44.84 -35.74 2.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.65 -1.159 . . . . 3.3799999999999999 111.783 -172.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -53.21 -48.59 68.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.729 -0.669 . . . . 5.6299999999999999 110.262 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 131.85 54.21 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.893 -0.67 . . . . 1.3899999999999999 111.986 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 32.9 t70 -141.94 148.11 38.12 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.712 -0.395 . . . . 1.47 111.7 -171.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 9.3 m-85 -124.04 127.7 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.729 0.776 . . . . 1.54 110.268 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.653 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 38.4 t -138.27 149.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 114.153 -1.385 . . . . 2.0 108.748 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.666 HG22 ' HG3' ' A' ' 817' ' ' LYS . 46.2 t -122.51 134.08 66.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.653 -0.869 . . . . 1.8400000000000001 108.653 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.484 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.9 pp -128.29 150.36 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.357 0.598 . . . . 1.72 112.071 -169.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 170.63 40.08 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.829 -1.078 . . . . 1.2 111.209 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 12.1 t -167.96 37.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.415 0.15 . . . . 2.0899999999999999 110.793 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 65.87 -61.04 0.28 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.549 0.944 . . . . 1.79 113.549 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -57.11 -43.46 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.523 0.564 . . . . 2.9300000000000002 112.523 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.484 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.3 OUTLIER -57.9 -49.63 76.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.126 0.489 . . . . 2.1400000000000001 110.592 -176.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.554 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 9.5 t-105 -63.94 -39.76 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.28999999999999998 110.413 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.35 -45.25 76.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.623 -0.262 . . . . 2.6699999999999999 110.763 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 92.4 t -58.92 -46.26 91.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.094 -0.503 . . . . 2.0499999999999998 110.965 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.631 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.13 -48.2 82.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.453 -0.34 . . . . 1.04 110.99 177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 15.6 mtpp -56.69 -49.62 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 1.8700000000000001 111.636 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.26 -41.16 88.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.075 0.464 . . . . 2.2200000000000002 110.28 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.92 -54.8 42.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.653 -0.703 . . . . 1.0600000000000001 110.807 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 17.8 mt -58.88 -58.43 8.66 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.687 -0.688 . . . . 1.3 111.486 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.76 73.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.273 -0.876 . . . . 1.1499999999999999 112.53 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.27 -48.8 64.07 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.951 0.352 . . . . 2.9199999999999999 111.951 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 4.6 m120 -68.68 -58.49 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.6000000000000001 111.664 -174.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 17.1 p30 148.85 -25.95 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.532 1.133 . . . . 1.8999999999999999 108.321 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.56 147.78 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.03 -1.441 . . . . 2.9700000000000002 111.494 -174.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -144.4 -24.2 0.53 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.217 -0.447 . . . . 2.8599999999999999 110.961 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.776 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.5 t80 -62.27 124.14 20.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.825 0.345 . . . . 0.65000000000000002 110.238 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.497 HD11 ' CD1' ' A' ' 818' ' ' TYR . 15.8 tp -132.37 140.62 48.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.614 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.931 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -128.56 145.33 51.16 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.487 -0.931 . . . . 0.95999999999999996 108.487 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.603 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.1 mm -127.39 124.29 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 1.1000000000000001 110.104 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -106.25 125.99 51.67 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 116.382 -0.372 . . . . 2.77 110.245 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 853' ' ' LEU . 7.6 mp -107.06 -9.04 16.31 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.791 -0.364 . . . . 2.1299999999999999 110.223 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.437 -1.256 . . . . 1.77 112.914 173.384 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.784 0.326 . . . . 3.5499999999999998 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.23 133.92 47.52 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.372 -0.603 . . . . 3.25 109.372 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.776 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -86.28 136.68 22.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 109.233 -0.654 . . . . 1.4399999999999999 109.233 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.505 ' HE2' ' HA ' ' A' ' 798' ' ' ILE . 18.5 t80 -127.25 144.66 51.0 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.485 -0.932 . . . . 0.59999999999999998 108.485 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.51 HG23 ' OD1' ' A' ' 850' ' ' ASN . 56.5 p -127.16 130.1 49.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.133 0.492 . . . . 2.0600000000000001 109.878 -171.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.2 tp -149.61 145.66 26.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.339 -0.846 . . . . 1.4399999999999999 109.445 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.82 122.13 31.9 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.809 -0.812 . . . . 2.0699999999999998 108.809 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.458 ' HA ' ' CH2' ' A' ' 789' ' ' TRP . 2.8 m -68.29 123.82 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 1.8 110.183 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.49 -37.22 85.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 3.0600000000000001 111.51 -172.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.835 ' HD2' ' H ' ' A' ' 788' ' ' VAL . 0.0 OUTLIER -152.31 -55.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 2.3900000000000001 111.589 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.835 ' H ' ' HD2' ' A' ' 787' ' ' LYS . 48.9 t -149.06 -66.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.83 -0.168 . . . . 1.75 110.77 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 788' ' ' VAL . 51.5 m0 74.52 127.97 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.749 0.656 . . . . 1.24 110.886 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 39.3 t30 -70.27 -45.81 65.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.637 0.732 . . . . 2.4300000000000002 110.126 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 160.74 -43.56 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.066 -1.879 . . . . 0.60999999999999999 108.245 177.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.44 -41.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.369 -0.832 . . . . 1.8600000000000001 109.496 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.65 -46.53 84.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.997 -1.001 . . . . 1.3600000000000001 109.983 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.708 HD11 HD13 ' A' ' 798' ' ' ILE . 5.6 tp -64.25 -46.56 83.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.414 -1.266 . . . . 1.0900000000000001 111.128 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.77 -44.05 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.601 -0.272 . . . . 1.26 111.292 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.6 mmt -63.66 -41.97 98.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.475 -0.329 . . . . 3.2200000000000002 111.329 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.3 93.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.962 0.41 . . . . 1.0900000000000001 110.121 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.708 HD13 HD11 ' A' ' 794' ' ' LEU . 68.8 mt -57.35 -52.79 52.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.401 -0.818 . . . . 1.3600000000000001 110.62 175.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.451 HD21 ' HA ' ' A' ' 799' ' ' ASN . 2.2 m120 -61.64 -37.09 82.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 1.21 111.854 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 36.4 t -58.67 -52.03 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.869 0.366 . . . . 1.8400000000000001 110.582 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' A' ' 804' ' ' ASN . 68.3 mttm -68.99 -39.0 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.459 -0.337 . . . . 2.5 111.851 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.573 HG22 ' HD2' ' A' ' 806' ' ' HIS . 16.2 mt -64.94 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.025 -0.27 . . . . 1.5600000000000001 110.891 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.9 t -67.32 -30.6 70.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 3.1000000000000001 110.393 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 801' ' ' LYS . 24.1 t-20 -57.92 -55.25 37.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.59 -0.732 . . . . 5.3799999999999999 110.102 177.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 806' ' ' HIS . 10.9 t -81.51 -32.55 32.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.16 -0.927 . . . . 5.6699999999999999 110.97 -176.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.573 ' HD2' HG22 ' A' ' 802' ' ' ILE . 88.9 m-70 -100.27 -122.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.588 -0.523 . . . . 7.1399999999999997 109.588 172.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -171.81 139.06 1.13 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.987 -0.745 . . . . 6.1900000000000004 108.987 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.515 ' N ' HD21 ' A' ' 808' ' ' ASN . 1.3 m120 72.13 135.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.801 0.688 . . . . 5.7699999999999996 110.741 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -76.1 -73.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 3.21 109.988 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.479 HG22 ' HG ' ' A' ' 811' ' ' SER . 46.5 mm 69.13 -62.07 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.22 1.008 . . . . 3.8199999999999998 111.204 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.479 ' HG ' HG22 ' A' ' 810' ' ' ILE . 28.5 p 165.13 145.22 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 114.148 -1.387 . . . . 2.29 108.3 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.2 Cg_exo -76.45 51.21 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.534 2.156 . . . . 0.96999999999999997 111.705 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 813' ' ' ILE . 27.0 mm 68.87 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.438 0.695 . . . . 2.0600000000000001 111.252 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.498 ' H ' ' C ' ' A' ' 812' ' ' PRO . 82.5 p 67.11 -33.29 0.21 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.503 1.521 . . . . 2.4500000000000002 112.534 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER -79.37 54.22 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.843 0.354 . . . . 2.9399999999999999 110.711 175.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.508 ' O ' HG21 ' A' ' 827' ' ' VAL . 42.3 pt -76.55 143.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.7 111.393 -177.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.63 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 27.0 ttpt -127.23 141.27 51.77 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.773 -1.195 . . . . 1.96 107.773 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 20.5 p90 -127.69 146.61 50.51 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.669 0.747 . . . . 0.94999999999999996 111.466 -167.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.989 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.5 tt0 -127.58 145.63 50.8 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.625 -1.171 . . . . 1.3100000000000001 109.867 -176.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.3 p30 -126.04 140.47 52.57 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.09 -0.505 . . . . 1.73 109.683 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.685 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 43.2 mt-10 59.5 24.15 12.83 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.451 -0.795 . . . . 3.3799999999999999 110.736 -175.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.482 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 2.8 p30 41.9 41.86 2.04 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.327 -0.851 . . . . 5.6299999999999999 112.452 -176.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -137.53 -30.52 0.25 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.102 -1.047 . . . . 1.3899999999999999 114.297 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -127.68 146.64 50.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.555 0.677 . . . . 1.47 110.792 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.621 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.54 131.88 53.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.465 0.65 . . . . 1.54 110.846 -172.069 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.645 HG12 ' CZ ' ' A' ' 818' ' ' TYR . 1.2 p -150.15 148.56 15.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.139 -1.391 . . . . 2.0 108.775 -172.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.63 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.5 p -122.77 142.76 38.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.263 -0.898 . . . . 1.8400000000000001 110.75 -168.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.732 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 3.7 pp -128.07 149.21 50.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.314 -0.857 . . . . 1.72 111.497 -168.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.91 35.15 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.718 -0.753 . . . . 1.2 112.533 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.3 p -157.97 36.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.563 0.221 . . . . 2.0899999999999999 111.369 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 67.37 -59.88 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.487 0.921 . . . . 1.79 113.487 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.02 -29.51 68.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.637 0.256 . . . . 2.9300000000000002 111.596 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.732 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 6.0 m-20 -57.66 -43.07 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 2.1400000000000001 110.065 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.555 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 17.8 t-105 -68.16 -40.3 82.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.28999999999999998 110.585 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.483 ' HA ' ' NZ ' ' A' ' 838' ' ' LYS . 92.0 m-20 -57.98 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 2.6699999999999999 110.886 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.1 -36.73 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.283 -0.417 . . . . 2.0499999999999998 111.142 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.27 -49.01 79.32 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.005 -0.278 . . . . 1.04 111.376 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 31.5 mtmm -58.69 -51.46 69.83 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.8 0.333 . . . . 1.8700000000000001 110.712 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.56 87.6 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.703 -0.68 . . . . 2.2200000000000002 110.57 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 41.0 ttp -54.37 -50.35 67.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 1.0600000000000001 111.087 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.607 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 34.9 mt -59.39 -57.62 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.971 0.415 . . . . 1.3 111.087 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.07 81.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.763 -0.653 . . . . 1.1499999999999999 112.411 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.83 -47.53 74.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.524 -0.307 . . . . 2.9199999999999999 111.245 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.564 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.4 m120 -68.53 -58.3 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 119.5 -0.286 . . . . 1.6000000000000001 111.393 -176.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.564 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 15.8 p30 161.76 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.757 0.661 . . . . 1.8999999999999999 111.086 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.711 ' HG3' ' H ' ' A' ' 847' ' ' LYS . 5.9 tp10 -82.59 -158.65 0.27 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.286 0.565 . . . . 2.9700000000000002 111.662 -169.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.711 ' H ' ' HG3' ' A' ' 846' ' ' GLU . 0.1 OUTLIER -176.06 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.406 -0.816 . . . . 2.8599999999999999 108.816 -178.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -55.48 131.9 47.16 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.343 -0.844 . . . . 0.65000000000000002 111.143 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.635 HD12 ' HD2' ' A' ' 818' ' ' TYR . 14.6 tp -128.49 145.23 51.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.422 -0.808 . . . . 1.29 110.084 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.989 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.5 m-80 -128.37 145.54 51.04 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.281 -1.007 . . . . 0.95999999999999996 108.281 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -127.61 130.32 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 C-N-CA 120.749 -0.38 . . . . 1.1000000000000001 110.121 -174.407 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.403 ' CB ' ' HE2' ' A' ' 825' ' ' PHE . 66.7 ttt180 -107.95 129.68 55.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.149 -0.478 . . . . 2.77 109.893 171.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.05 133.43 40.3 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.386 -0.968 . . . . 2.1299999999999999 108.386 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.403 ' O ' HG21 ' A' ' 813' ' ' ILE . 11.5 p90 . . . . . 0 C--O 1.244 0.781 0 CA-C-O 118.163 -0.923 . . . . 1.77 110.068 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.877 0.37 . . . . 3.5499999999999998 111.217 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -66.98 132.54 48.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 3.25 110.092 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.602 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -97.92 138.49 22.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.365 0.602 . . . . 1.4399999999999999 110.636 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.531 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.8 t80 -128.32 145.71 50.98 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.069 -1.085 . . . . 0.59999999999999998 108.069 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.448 HG23 ' OD1' ' A' ' 850' ' ' ASN . 12.8 p -126.56 126.39 43.58 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.794 -0.447 . . . . 2.0600000000000001 109.794 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 19.7 tp -150.1 146.21 26.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.224 -0.898 . . . . 1.4399999999999999 109.115 -171.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.5 122.5 35.36 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.251 -0.579 . . . . 2.0699999999999998 109.684 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.637 HG12 ' HH2' ' A' ' 834' ' ' TRP . 22.3 m -70.81 69.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 1.8 111.617 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -50.09 -50.44 48.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.077 -0.965 . . . . 3.0600000000000001 110.689 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -113.17 149.41 33.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.329 -0.989 . . . . 2.3900000000000001 108.329 171.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.472 HG12 ' HD2' ' A' ' 838' ' ' LYS . 58.1 t -64.41 88.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.296 0.57 . . . . 1.75 110.756 -177.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.543 ' CE3' HG11 ' A' ' 785' ' ' VAL . 26.5 m0 -65.3 135.93 55.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.149 -0.932 . . . . 1.24 111.944 -174.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.76 42.75 0.8 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 2.4300000000000002 110.532 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.485 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 30.5 t80 67.47 -50.8 0.5 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.219 1.008 . . . . 0.60999999999999999 112.418 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -60.17 -42.03 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.947 0.403 . . . . 1.8600000000000001 110.419 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.408 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 2.9 m-20 -62.28 -41.96 98.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.644 0.735 . . . . 1.3600000000000001 110.147 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 798' ' ' ILE . 7.8 tp -63.11 -44.67 95.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.577 -1.192 . . . . 1.0900000000000001 110.454 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.0 mm -59.34 -45.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 1.26 111.129 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.461 ' HB3' ' HE2' ' A' ' 796' ' ' MET . 85.1 mtp -59.8 -43.91 94.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.393 -0.367 . . . . 3.2200000000000002 111.024 179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.47 97.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.899 0.381 . . . . 1.0900000000000001 110.758 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.491 ' HA ' ' CE2' ' A' ' 781' ' ' PHE . 81.2 mt -59.15 -52.3 62.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.653 -0.703 . . . . 1.3600000000000001 110.574 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.506 ' HB3' ' HB3' ' A' ' 809' ' ' ASN . 4.9 m120 -58.31 -49.3 77.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.581 -0.736 . . . . 1.21 111.926 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.0 p -62.26 -47.87 82.42 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.196 0.443 . . . . 1.8400000000000001 112.196 -176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.27 -41.82 80.48 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.05 0.389 . . . . 2.5 112.05 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 32.3 mt -71.28 -37.59 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.855 0.317 . . . . 1.5600000000000001 111.855 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.814 ' HB3' ' HB2' ' A' ' 809' ' ' ASN . 47.1 p -64.75 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.506 0.558 . . . . 3.1000000000000001 112.506 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 36.1 t30 72.22 -49.93 0.69 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.761 0.824 . . . . 5.3799999999999999 111.494 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 17.1 p -61.75 -69.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.904 -0.406 . . . . 5.6699999999999999 109.904 176.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.578 ' O ' ' HB2' ' A' ' 803' ' ' SER . 0.2 OUTLIER -81.98 137.87 35.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.925 -1.034 . . . . 7.1399999999999997 108.241 165.272 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -63.79 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.281 -0.418 . . . . 6.1900000000000004 110.546 -172.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.28 121.33 40.92 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.395 0.617 . . . . 5.7699999999999996 109.971 174.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.814 ' HB2' ' HB3' ' A' ' 803' ' ' SER . 32.9 t-20 -81.45 123.72 28.83 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.304 -0.999 . . . . 3.21 108.304 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.435 ' C ' ' HG ' ' A' ' 811' ' ' SER . 47.9 mm -68.44 -58.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 3.8199999999999998 110.215 -176.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 810' ' ' ILE . 64.1 m -166.79 151.6 7.08 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.586 -0.734 . . . . 2.29 109.549 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.1 55.95 4.16 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.346 2.697 . . . . 0.96999999999999997 110.798 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.614 HG22 HG21 ' A' ' 814' ' ' THR . 47.1 mm 72.53 -61.61 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 114.0 -1.455 . . . . 2.0600000000000001 109.008 -169.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.614 HG21 HG22 ' A' ' 813' ' ' ILE . 4.0 t 159.34 -33.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.383 -1.28 . . . . 2.4500000000000002 107.584 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.702 ' HE2' ' HA ' ' A' ' 815' ' ' LYS . 10.4 mmpt? -79.81 127.22 31.96 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.202 -1.363 . . . . 2.9399999999999999 111.053 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.5 150.16 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.867 0.841 . . . . 1.7 111.452 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 1.088 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.1 mttp -127.72 147.07 50.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.215 -1.357 . . . . 1.96 108.465 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.58 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 6.2 p90 -126.91 144.67 50.93 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.334 0.588 . . . . 0.94999999999999996 109.979 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.924 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.2 tt0 -128.66 145.85 51.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.313 -0.858 . . . . 1.3100000000000001 110.035 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.717 ' HB2' ' HE2' ' A' ' 840' ' ' MET . 0.8 OUTLIER -125.62 139.1 53.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.114 -0.493 . . . . 1.73 110.186 -174.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 62.63 16.92 9.26 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.061 0.851 . . . . 3.3799999999999999 110.396 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 28.1 t70 50.59 47.51 24.13 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.15 -0.932 . . . . 5.6299999999999999 110.953 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -150.77 -29.72 0.05 OUTLIER Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.219 -0.991 . . . . 1.3899999999999999 113.804 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -127.38 146.9 50.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.325 0.562 . . . . 1.47 109.988 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -124.67 130.5 52.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.793 0.806 . . . . 1.54 111.199 -171.085 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.01 150.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.112 -1.404 . . . . 2.0 108.138 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.536 ' CG2' ' HG2' ' A' ' 817' ' ' LYS . 21.5 t -122.9 129.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.387 -0.597 . . . . 1.8400000000000001 109.387 -170.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.62 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 0.0 OUTLIER -128.91 151.47 49.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.46 0.648 . . . . 1.72 111.471 -173.743 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -163.41 -35.96 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.025 0 CA-C-N 114.953 -1.021 . . . . 1.2 111.22 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.5 t -75.48 -77.35 0.13 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.74 -0.23 . . . . 2.0899999999999999 110.66 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -178.41 -51.12 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.818 0.342 . . . . 1.79 110.608 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.624 ' HA ' HD21 ' A' ' 835' ' ' ASN . 23.7 pt-20 -53.91 -39.73 66.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.722 0.638 . . . . 2.9300000000000002 112.722 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.632 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.4 OUTLIER -59.55 -38.7 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.327 0.584 . . . . 2.1400000000000001 110.387 -175.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.637 ' HH2' HG12 ' A' ' 785' ' ' VAL . 39.7 t-105 -68.25 -39.06 82.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.489 . . . . 0.28999999999999998 110.517 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.624 HD21 ' HA ' ' A' ' 832' ' ' GLU . 79.4 m-20 -61.29 -47.8 84.33 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.649 -0.251 . . . . 2.6699999999999999 110.608 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 833' ' ' ASP . 10.5 m -62.4 -36.38 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 2.0499999999999998 110.232 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -59.36 -51.99 67.55 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 121.245 -0.182 . . . . 1.04 111.426 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.512 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 32.6 mtmm -57.11 -47.63 80.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.593 -0.276 . . . . 1.8700000000000001 110.666 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.15 -48.69 78.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.342 0.592 . . . . 2.2200000000000002 110.2 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.717 ' HE2' ' HB2' ' A' ' 820' ' ' ASP . 37.7 ttp -52.83 -52.93 55.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.803 -1.09 . . . . 1.0600000000000001 111.392 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.62 HD12 HG23 ' A' ' 785' ' ' VAL . 20.2 mt -58.21 -54.69 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.395 -0.366 . . . . 1.3 111.205 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.81 93.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.151 0.426 . . . . 1.1499999999999999 112.151 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.36 -47.41 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 2.9199999999999999 110.833 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 25.6 m-80 -62.66 -35.25 79.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 1.6000000000000001 111.271 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.547 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 97.38 -7.55 0.06 Allowed 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.787 1.304 . . . . 1.8999999999999999 109.7 -176.109 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -77.55 162.0 27.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.37 -0.832 . . . . 2.9700000000000002 110.774 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -151.6 3.47 0.41 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.899 -0.591 . . . . 2.8599999999999999 110.147 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.29 124.82 28.52 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.618 -0.512 . . . . 0.65000000000000002 109.618 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 819' ' ' GLN . 19.1 tp -128.58 143.84 51.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.547 0.689 . . . . 1.29 109.941 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.924 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.4 m-80 -128.43 145.34 51.12 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.028 -1.101 . . . . 0.95999999999999996 108.028 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.43 130.65 70.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.283 -0.636 . . . . 1.1000000000000001 109.283 -174.316 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 1.088 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 1.9 ttm180 -100.39 136.31 40.47 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 120.453 -0.499 . . . . 2.77 111.361 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 852' ' ' ARG . 2.0 mm? -111.19 136.08 50.79 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.904 -1.044 . . . . 2.1299999999999999 108.829 167.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.648 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 48.4 p90 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.944 -1.027 . . . . 1.77 109.397 -170.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 71.3 m . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.58 0.228 . . . . 3.5499999999999998 111.241 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.427 ' OE2' ' HB2' ' A' ' 853' ' ' LEU . 17.4 pm0 -60.73 127.86 33.72 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.088 0.47 . . . . 3.25 110.299 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.42 HD11 ' HB3' ' A' ' 850' ' ' ASN . 9.0 tp -95.13 140.82 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.192 -0.913 . . . . 1.4399999999999999 110.403 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.483 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.2 t80 -127.28 145.39 50.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.057 -0.974 . . . . 0.59999999999999998 108.643 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.8 t -126.75 129.19 47.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.124 0.488 . . . . 2.0600000000000001 110.153 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 783' ' ' LEU . 21.8 tp -150.52 146.41 26.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.24 -1.346 . . . . 1.4399999999999999 109.61 -169.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.43 123.7 38.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 2.0699999999999998 109.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.649 HG12 ' HH2' ' A' ' 834' ' ' TRP . 14.6 m -68.66 133.98 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.933 -1.031 . . . . 1.8 112.011 -169.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -85.94 -126.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.447 -0.797 . . . . 3.0600000000000001 111.258 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.723 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -71.26 51.91 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.448 -0.796 . . . . 2.3900000000000001 112.529 -177.146 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 25.6 t 60.99 80.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.481 0.657 . . . . 1.75 110.862 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.42 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 38.9 m0 -63.01 129.82 42.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.318 -0.855 . . . . 1.24 111.546 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.52 43.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.538 -0.301 . . . . 2.4300000000000002 110.805 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 35.8 t80 69.83 -53.17 0.62 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.853 0.861 . . . . 0.60999999999999999 111.766 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.11 -41.18 97.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.302 . . . . 1.8600000000000001 110.36 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.13 -43.66 95.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.523 0.678 . . . . 1.3600000000000001 110.004 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.725 HD12 HD12 ' A' ' 798' ' ' ILE . 4.3 tp -64.49 -45.68 86.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.576 -1.193 . . . . 1.0900000000000001 110.642 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 26.5 mm -64.52 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.56 -0.291 . . . . 1.26 111.18 177.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.12 -44.91 94.54 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.741 0.305 . . . . 3.2200000000000002 110.76 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.09 91.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.869 -0.605 . . . . 1.0900000000000001 110.256 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.725 HD12 HD12 ' A' ' 794' ' ' LEU . 76.7 mt -58.95 -52.88 55.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.414 -0.812 . . . . 1.3600000000000001 110.748 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.454 HD22 ' HD3' ' A' ' 812' ' ' PRO . 4.7 m120 -52.4 -45.23 65.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.997 -177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 32.9 t -65.48 -50.46 65.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.962 0.41 . . . . 1.8400000000000001 110.851 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -67.95 -36.36 79.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.247 0.832 . . . . 2.5 113.247 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 798' ' ' ILE . 31.6 mm -57.3 -56.74 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 111.986 0.365 . . . . 1.5600000000000001 111.986 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 65.1 m -158.83 55.65 0.43 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.726 0.639 . . . . 3.1000000000000001 112.726 -174.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 806' ' ' HIS . 9.1 p-10 -79.29 -7.6 58.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.65 0.262 . . . . 5.3799999999999999 110.846 174.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.0 t -71.07 36.73 0.05 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.624 0.601 . . . . 5.6699999999999999 112.624 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' A' ' 804' ' ' ASN . 0.3 OUTLIER -176.07 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.893 0.477 . . . . 7.1399999999999997 109.816 171.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.434 ' H ' ' CD2' ' A' ' 806' ' ' HIS . 14.1 p30 -173.66 -148.09 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.44 -0.948 . . . . 6.1900000000000004 108.44 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 808' ' ' ASN . 0.0 OUTLIER -66.86 142.0 57.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.184 0.516 . . . . 5.7699999999999996 111.81 177.041 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 0.2 OUTLIER -76.19 -15.13 60.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 3.21 109.93 178.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 44.5 mm 85.32 -58.06 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.83 -1.077 . . . . 3.8199999999999998 111.023 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 810' ' ' ILE . 21.2 t 174.27 148.08 0.23 Allowed Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.617 -0.72 . . . . 2.29 109.725 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.576 ' HA ' HD22 ' A' ' 853' ' ' LEU . 3.9 Cg_exo -75.56 54.5 3.93 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.159 2.573 . . . . 0.96999999999999997 110.396 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.47 ' O ' ' HB ' ' A' ' 814' ' ' THR . 50.5 mm 70.3 -74.42 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 114.183 -1.371 . . . . 2.0600000000000001 108.992 -169.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 813' ' ' ILE . 9.1 t 149.69 -24.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.884 1.274 . . . . 2.4500000000000002 108.209 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.601 ' HE3' ' HA ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -66.74 -54.48 22.46 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 114.636 -1.165 . . . . 2.9399999999999999 111.34 -177.024 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.7 pt 47.03 133.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.017 1.858 . . . . 1.7 116.017 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.762 ' HE2' HG22 ' A' ' 827' ' ' VAL . 82.4 mttt -127.61 147.03 50.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.035 -1.893 . . . . 1.96 108.548 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.57 ' CD2' HD21 ' A' ' 828' ' ' LEU . 3.0 p90 -126.2 144.99 50.56 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.351 -0.611 . . . . 0.94999999999999996 109.351 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.8 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.6 tt0 -128.12 145.45 51.01 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.94 -1.027 . . . . 1.3100000000000001 109.675 -174.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.52 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 11.7 p-10 -125.74 136.87 53.65 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-N 116.023 -0.535 . . . . 1.73 110.084 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 56.96 23.96 8.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.388 -1.278 . . . . 3.3799999999999999 111.271 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.483 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.3 t0 48.8 58.64 5.09 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.681 -0.69 . . . . 5.6299999999999999 110.758 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -164.01 -29.4 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.912 -1.137 . . . . 1.3899999999999999 113.737 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.41 145.86 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.569 -0.53 . . . . 1.47 109.569 -175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.44 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.8 OUTLIER -125.79 136.82 53.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.943 0.877 . . . . 1.54 111.599 -172.085 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.554 HG11 ' N ' ' A' ' 827' ' ' VAL . 50.9 t -140.2 150.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 113.925 -1.489 . . . . 2.0 108.26 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.762 HG22 ' HE2' ' A' ' 817' ' ' LYS . 15.8 t -121.98 132.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.28 -1.008 . . . . 1.8400000000000001 108.28 -171.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 818' ' ' TYR . 2.1 pp -128.45 151.33 49.51 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.765 -0.774 . . . . 1.72 112.742 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 172.54 26.6 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.796 -1.093 . . . . 1.2 112.219 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -143.16 19.75 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.893 0.346 . . . . 2.0899999999999999 110.881 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.8 t70 70.79 -52.67 0.67 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.509 0.724 . . . . 1.79 112.155 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.14 -42.08 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.49 . . . . 2.9300000000000002 111.177 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.447 ' O ' HG21 ' A' ' 836' ' ' VAL . 0.5 OUTLIER -58.15 -48.22 80.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.253 -0.885 . . . . 2.1400000000000001 111.067 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.649 ' HH2' HG12 ' A' ' 785' ' ' VAL . 20.3 t-105 -65.35 -37.62 87.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.277 -0.42 . . . . 0.28999999999999998 110.478 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 22.0 t30 -59.76 -50.51 73.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.544 -0.298 . . . . 2.6699999999999999 110.966 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 833' ' ' ASP . 28.6 m -62.79 -36.53 75.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.908 -0.317 . . . . 2.0499999999999998 110.706 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.91 -48.31 82.4 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 121.006 -0.278 . . . . 1.04 110.973 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 30.8 mtmm -56.9 -48.49 78.08 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.535 0.207 . . . . 1.8700000000000001 111.023 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 51.0 mt-10 -59.57 -44.16 93.38 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.152 0.501 . . . . 2.2200000000000002 110.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.52 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 34.9 ttp -56.94 -56.4 22.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.194 -0.912 . . . . 1.0600000000000001 111.192 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.2 mt -54.94 -51.9 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 1.3 110.984 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.42 46.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.556 0.576 . . . . 1.1499999999999999 112.556 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 2.9199999999999999 111.29 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.1 m120 -68.21 -35.27 77.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.036 -0.529 . . . . 1.6000000000000001 110.889 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.492 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.37 -14.17 0.14 Allowed 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.348 1.03 . . . . 1.8999999999999999 109.572 -173.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.51 64.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.334 -0.848 . . . . 2.9700000000000002 110.98 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.538 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 29.8 ttpt -81.84 30.07 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.491 -0.322 . . . . 2.8599999999999999 111.77 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -91.06 125.42 35.84 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.934 -0.765 . . . . 0.65000000000000002 108.934 173.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 818' ' ' TYR . 33.0 tp -128.0 138.91 52.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.707 0.765 . . . . 1.29 110.552 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.8 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 72.2 m-80 -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.949 -1.023 . . . . 0.95999999999999996 108.916 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.1 OUTLIER -127.15 124.84 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.644 -0.502 . . . . 1.1000000000000001 109.644 -174.781 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.6 ttm180 -104.23 134.79 46.86 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.719 -0.474 . . . . 2.77 109.719 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.576 HD22 ' HA ' ' A' ' 812' ' ' PRO . 5.5 mp -100.56 -26.54 13.8 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.732 -0.387 . . . . 2.1299999999999999 110.855 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.652 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 6.6 p90 . . . . . 0 C--O 1.252 1.188 0 O-C-N 124.355 1.034 . . . . 1.77 112.815 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.92 0.391 . . . . 3.5499999999999998 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 2.3 pm0 -66.6 126.73 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 3.25 110.202 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -92.42 138.07 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.638 0.732 . . . . 1.4399999999999999 110.659 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.48 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.5 t80 -128.61 146.73 50.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.215 -1.031 . . . . 0.59999999999999998 108.215 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 80.5 p -125.33 129.25 49.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.009 -0.737 . . . . 2.0600000000000001 109.009 -175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 41.9 tp -149.72 146.48 27.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.497 -1.228 . . . . 1.4399999999999999 109.461 -169.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.68 119.46 27.02 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.849 -0.797 . . . . 2.0699999999999998 108.849 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.721 HG13 ' CE3' ' A' ' 789' ' ' TRP . 20.9 t -62.19 -35.76 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.252 -1.34 . . . . 1.8 111.623 -168.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.725 ' HA ' ' HD2' ' A' ' 847' ' ' LYS . 16.5 tp10 69.39 -59.47 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.229 0.612 . . . . 3.0600000000000001 111.746 175.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.85 139.59 39.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.787 -0.82 . . . . 2.3900000000000001 108.787 175.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.999 HG23 ' HD2' ' A' ' 838' ' ' LYS . 1.4 p -46.74 108.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.608 -0.724 . . . . 1.75 112.41 -174.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.721 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.1 m0 -82.9 142.81 31.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.268 -0.878 . . . . 1.24 110.302 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 47.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.395 . . . . 2.4300000000000002 110.292 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 53.9 t80 65.11 -55.04 0.31 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.222 1.009 . . . . 0.60999999999999999 113.033 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.27 -38.02 85.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.167 0.508 . . . . 1.8600000000000001 110.185 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 30.5 m-20 -62.58 -42.42 99.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 1.3600000000000001 109.591 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.425 HD23 ' CE2' ' A' ' 834' ' ' TRP . 8.7 tp -62.49 -45.83 91.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.469 -1.241 . . . . 1.0900000000000001 110.414 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.54 -48.13 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 1.26 111.062 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 83.0 mtp -59.53 -45.01 93.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 -0.263 . . . . 3.2200000000000002 111.161 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.2 87.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 1.0900000000000001 110.383 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 802' ' ' ILE . 69.2 mt -59.66 -50.73 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.908 -0.587 . . . . 1.3600000000000001 110.937 176.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.406 HD22 ' HD3' ' A' ' 812' ' ' PRO . 5.2 m120 -52.21 -52.77 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 1.21 111.82 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' SER . . . . . 0.712 ' HA ' ' HB3' ' A' ' 804' ' ' ASN . 17.1 m -68.76 -50.85 47.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.557 . . . . 1.8400000000000001 111.869 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 2.5 113.154 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.8 mt -58.78 -66.76 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 120.76 -0.376 . . . . 1.5600000000000001 110.622 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 805' ' ' THR . 69.0 m -167.53 79.58 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 3.1000000000000001 109.926 -179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . 0.712 ' HB3' ' HA ' ' A' ' 800' ' ' SER . 0.1 OUTLIER -75.08 42.64 0.19 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.188 0.518 . . . . 5.3799999999999999 111.741 -178.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 803' ' ' SER . 9.0 t -177.65 140.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.464 -0.789 . . . . 5.6699999999999999 109.881 179.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 45.9 m170 73.44 -49.61 0.69 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.715 0.806 . . . . 7.1399999999999997 112.98 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -86.78 -144.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.968 0.413 . . . . 6.1900000000000004 111.077 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 811' ' ' SER . 1.2 p30 -62.12 -69.65 0.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.646 -0.707 . . . . 5.7699999999999996 111.346 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 804' ' ' ASN . 1.8 t-20 66.48 -51.27 0.44 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.871 0.868 . . . . 3.21 112.605 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.9 -44.97 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.513 . . . . 3.8199999999999998 110.695 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.439 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 50.6 p -151.72 138.13 11.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.586 -0.734 . . . . 2.29 109.932 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.44 ' HB2' HG23 ' A' ' 816' ' ' ILE . 3.4 Cg_exo -73.77 64.18 4.85 Favored 'Trans proline' 0 CA--C 1.511 -0.643 0 C-N-CA 123.155 2.57 . . . . 0.96999999999999997 110.749 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.915 HG22 HG21 ' A' ' 814' ' ' THR . 1.6 mp 72.1 -67.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 113.251 -1.795 . . . . 2.0600000000000001 107.939 -167.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.915 HG21 HG22 ' A' ' 813' ' ' ILE . 4.1 t 158.27 -30.57 0.0 OUTLIER 'General case' 0 C--O 1.231 0.088 0 CA-C-N 114.915 -1.039 . . . . 2.4500000000000002 108.267 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.77 ' HE3' ' HA ' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -66.61 -64.21 0.9 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.429 -1.26 . . . . 2.9399999999999999 112.23 -173.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.726 HG13 HD11 ' A' ' 828' ' ' LEU . 18.6 pt 53.83 131.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.404 1.482 . . . . 1.7 113.973 -174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.725 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 77.1 tttt -127.7 145.38 50.91 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.01 -1.45 . . . . 1.96 108.291 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 5.7 p90 -126.96 145.9 50.52 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.475 0.655 . . . . 0.94999999999999996 110.427 -174.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 1.018 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -127.96 147.34 50.48 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.486 -1.234 . . . . 1.3100000000000001 108.942 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.442 ' CB ' ' HE3' ' A' ' 840' ' ' MET . 0.0 OUTLIER -124.61 145.67 49.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.708 -0.479 . . . . 1.73 109.708 -172.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.834 ' HB3' ' HB3' ' A' ' 846' ' ' GLU . 6.4 tp10 -41.93 -36.47 1.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.263 -1.335 . . . . 3.3799999999999999 112.561 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -56.08 -33.08 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.058 0.456 . . . . 5.6299999999999999 111.245 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 112.78 58.04 0.43 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.898 -0.668 . . . . 1.3899999999999999 111.531 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 6.9 t70 -147.18 147.07 30.13 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.203 -0.199 . . . . 1.47 110.768 -172.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.725 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 1.8 m-85 -124.44 128.86 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.484 0.659 . . . . 1.54 110.165 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.514 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 82.4 t -142.9 148.85 19.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.362 -1.29 . . . . 2.0 108.612 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.598 HG21 ' O ' ' A' ' 816' ' ' ILE . 7.2 p -122.64 131.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.537 -0.912 . . . . 1.8400000000000001 108.537 -174.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.726 HD11 HG13 ' A' ' 816' ' ' ILE . 0.0 OUTLIER -128.61 149.58 50.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.394 -0.821 . . . . 1.72 113.176 -163.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.59 -26.13 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.224 -1.353 . . . . 1.2 112.104 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 20.5 m -72.73 -7.66 51.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.448 0.536 . . . . 2.0899999999999999 112.448 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.1 t0 64.42 49.37 2.49 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.556 1.169 . . . . 1.79 109.589 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.68 -46.02 0.06 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.838 -1.528 . . . . 2.9300000000000002 107.133 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -56.77 -46.17 81.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.95 -1.932 . . . . 2.1400000000000001 110.602 166.383 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.526 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 20.3 t-105 -66.41 -41.19 89.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.308 -0.405 . . . . 0.28999999999999998 110.151 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.537 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 46.5 t30 -57.32 -49.66 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 2.6699999999999999 111.322 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 833' ' ' ASP . 14.1 p -63.34 -36.43 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.333 . . . . 2.0499999999999998 110.426 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -58.26 -49.86 75.62 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.015 -0.274 . . . . 1.04 111.116 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.999 ' HD2' HG23 ' A' ' 788' ' ' VAL . 9.3 mtmp? -56.1 -49.39 73.97 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.821 0.343 . . . . 1.8700000000000001 110.751 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 6.0 mm-40 -63.03 -39.72 95.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.736 -0.665 . . . . 2.2200000000000002 110.312 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 44.8 ttp -56.47 -52.4 64.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.363 -0.835 . . . . 1.0600000000000001 110.886 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 6.7 mt -58.67 -48.63 80.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 1.3 110.662 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.12 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 1.1499999999999999 112.155 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.97 -50.13 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.289 0.566 . . . . 2.9199999999999999 110.205 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.723 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 54.1 m-80 -67.94 -35.82 79.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.537 -0.756 . . . . 1.6000000000000001 111.955 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.454 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.71 -12.73 0.17 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.574 1.149 . . . . 1.8999999999999999 109.792 -173.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.834 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 14.0 mt-10 -74.96 73.71 2.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 2.9700000000000002 110.34 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' A' ' 786' ' ' GLU . 38.9 ttpt -74.29 0.23 14.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.968 -1.015 . . . . 2.8599999999999999 111.762 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.526 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.4 t80 -68.39 125.32 26.07 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.086 -0.339 . . . . 0.65000000000000002 110.086 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 818' ' ' TYR . 16.3 tp -128.65 142.61 50.97 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.69 0.757 . . . . 1.29 109.943 177.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 1.018 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.8 m-80 -128.52 146.56 50.79 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.088 -1.079 . . . . 0.95999999999999996 108.088 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.19 124.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 109.119 -0.697 . . . . 1.1000000000000001 109.119 -174.464 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.8 ttm180 -110.9 129.48 55.86 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 120.54 -0.464 . . . . 2.77 110.703 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.492 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 1.7 mm? -100.98 134.62 43.7 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.391 -1.337 . . . . 2.1299999999999999 107.391 170.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.721 -0.656 . . . . 1.77 109.815 -174.615 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.264 -0.273 . . . . 3.5499999999999998 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.74 118.8 13.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.976 -0.379 . . . . 3.25 109.976 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.07 136.54 40.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 1.4399999999999999 110.191 -178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.486 ' HD2' HG13 ' A' ' 851' ' ' ILE . 11.8 t80 -129.05 146.38 51.03 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.671 -0.863 . . . . 0.59999999999999998 108.671 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 21.5 p -125.92 133.67 51.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.882 0.372 . . . . 2.0600000000000001 110.022 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.774 HD12 ' HZ3' ' A' ' 789' ' ' TRP . 2.7 tm? -150.02 145.9 26.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.697 -1.138 . . . . 1.4399999999999999 109.769 -167.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 847' ' ' LYS . 7.4 tt -128.23 121.54 29.61 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.499 -0.926 . . . . 2.0699999999999998 108.499 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.536 HG12 ' HH2' ' A' ' 834' ' ' TRP . 35.1 m -71.12 119.1 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 1.8 110.984 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.48 -48.6 16.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.348 -0.842 . . . . 3.0600000000000001 111.986 -171.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 52.5 pttt -145.45 55.7 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.399 -0.364 . . . . 2.3900000000000001 111.238 -173.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.455 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 53.4 t 70.98 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.541 -0.754 . . . . 1.75 111.582 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.774 ' HZ3' HD12 ' A' ' 783' ' ' LEU . 42.8 m0 69.98 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.337 0.655 . . . . 1.24 112.08 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -78.9 38.87 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.536 -0.756 . . . . 2.4300000000000002 111.299 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.464 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.1 t80 71.39 -48.72 0.68 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.68 0.792 . . . . 0.60999999999999999 111.759 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.607 ' O ' HG21 ' A' ' 795' ' ' ILE . 38.3 m-20 -62.11 -40.52 96.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.8600000000000001 110.34 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.87 -37.84 88.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.14 0.495 . . . . 1.3600000000000001 110.379 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.52 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 4.4 tp -66.48 -49.45 66.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.467 -0.788 . . . . 1.0900000000000001 110.704 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.607 HG21 ' O ' ' A' ' 792' ' ' ASP . 9.2 tp -64.9 -36.71 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.626 -0.261 . . . . 1.26 110.98 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.418 ' HB3' ' HE3' ' A' ' 796' ' ' MET . 91.6 mmm -64.34 -42.98 95.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.419 -0.355 . . . . 3.2200000000000002 110.409 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.12 97.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 1.0900000000000001 110.542 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 794' ' ' LEU . 83.9 mt -58.8 -53.51 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 1.3600000000000001 110.752 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.41 HD22 ' HD3' ' A' ' 812' ' ' PRO . 23.2 m-20 -62.83 -36.44 83.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 1.21 111.372 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -47.41 83.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.955 0.407 . . . . 1.8400000000000001 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.67 -43.93 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 2.5 111.664 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.46 HD11 HG23 ' A' ' 802' ' ' ILE . 53.2 mt -71.94 140.46 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.5600000000000001 110.778 178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.591 ' HA ' ' HB3' ' A' ' 809' ' ' ASN . 7.7 t -159.92 34.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 3.1000000000000001 111.066 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -170.91 45.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.451 -0.34 . . . . 5.3799999999999999 111.373 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.431 HG21 ' H ' ' A' ' 806' ' ' HIS . 5.2 t -61.64 -45.22 94.98 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.776 0.322 . . . . 5.6699999999999999 111.172 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.431 ' H ' HG21 ' A' ' 805' ' ' THR . 29.6 p80 -170.14 26.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.227 -1.027 . . . . 7.1399999999999997 108.227 173.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 8.6 p30 170.48 -125.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 113.204 -1.816 . . . . 6.1900000000000004 107.142 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -138.61 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.808 0.337 . . . . 5.7699999999999996 110.516 169.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.591 ' HB3' ' HA ' ' A' ' 803' ' ' SER . 15.5 p-10 -146.82 132.25 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.005 -0.368 . . . . 3.21 110.005 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 45.2 mm -132.77 -52.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.947 -0.569 . . . . 3.8199999999999998 110.52 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.478 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 10.0 t -159.88 142.2 9.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.773 -0.649 . . . . 2.29 109.721 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 1.0 OUTLIER -80.0 52.13 4.18 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.291 2.66 . . . . 0.96999999999999997 111.967 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 815' ' ' LYS . 42.6 mm 74.19 -18.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.044 0.537 . . . . 2.0600000000000001 112.001 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.438 ' H ' ' C ' ' A' ' 812' ' ' PRO . 25.4 p 72.8 -37.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.016 1.326 . . . . 2.4500000000000002 111.196 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.481 ' HE3' ' N ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -78.54 50.08 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.539 -0.3 . . . . 2.9399999999999999 110.54 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.592 HD13 HD12 ' A' ' 828' ' ' LEU . 42.8 pt -63.73 148.74 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.414 0.626 . . . . 1.7 111.196 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.819 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 28.8 tttp -126.14 142.65 51.43 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.966 -1.494 . . . . 1.96 106.966 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.578 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 7.6 p90 -127.04 146.3 50.41 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.335 0.588 . . . . 0.94999999999999996 110.657 -170.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 1.132 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 32.7 tt0 -127.95 148.32 50.51 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.405 -1.271 . . . . 1.3100000000000001 109.336 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -122.46 145.27 48.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.605 -168.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.594 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 82.7 tt0 -41.34 -45.82 3.13 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.052 1.341 . . . . 3.3799999999999999 113.671 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -61.96 -37.83 86.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.917 0.389 . . . . 5.6299999999999999 110.769 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 129.02 59.14 0.1 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.737 . . . . 1.3899999999999999 112.286 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 26.2 t70 -134.64 146.46 49.56 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.182 -0.207 . . . . 1.47 110.653 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.31 127.93 46.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 1.54 110.062 -176.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.545 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 58.5 t -144.13 148.89 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.811 -1.086 . . . . 2.0 108.909 -173.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.729 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 13.6 p -123.9 135.79 62.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.449 -0.575 . . . . 1.8400000000000001 109.449 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.592 HD12 HD13 ' A' ' 816' ' ' ILE . 4.6 pp -128.39 145.25 51.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.231 -0.895 . . . . 1.72 111.77 -167.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -177.67 32.56 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.213 -0.903 . . . . 1.2 111.756 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.9 m -153.19 26.62 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.591 0.234 . . . . 2.0899999999999999 110.874 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.25 -45.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.864 1.266 . . . . 1.79 113.773 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.49 -36.76 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.348 0.594 . . . . 2.9300000000000002 111.066 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.484 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -66.12 -44.36 84.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.215 -0.902 . . . . 2.1400000000000001 111.531 179.087 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.545 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 27.4 t-105 -66.21 -38.16 87.3 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.527 -0.469 . . . . 0.28999999999999998 109.827 174.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.599 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 24.5 t-20 -54.61 -51.77 64.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.813 -0.631 . . . . 2.6699999999999999 110.684 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 833' ' ' ASP . 25.0 m -64.58 -36.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.473 -0.33 . . . . 2.0499999999999998 111.391 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.685 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.41 -48.37 82.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.234 -0.587 . . . . 1.04 110.594 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.545 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 9.0 mtmp? -55.93 -54.23 47.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.65 0.262 . . . . 1.8700000000000001 111.648 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 29.3 mm-40 -59.68 -40.58 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 2.2200000000000002 110.014 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.446 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 36.4 ttp -57.58 -50.1 74.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.041 -0.981 . . . . 1.0600000000000001 110.839 175.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 62.8 mt -61.06 -51.74 67.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 1.3 111.233 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.83 89.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 1.1499999999999999 111.848 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.28 -54.86 14.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 2.9199999999999999 111.24 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.0 m-80 -68.0 -35.8 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 1.6000000000000001 112.396 -176.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.35 -6.23 0.14 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.305 1.042 . . . . 1.8999999999999999 109.68 -174.355 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.594 ' HG3' ' HB3' ' A' ' 821' ' ' GLU . 30.5 tt0 -65.36 122.34 16.92 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.267 -1.012 . . . . 2.9700000000000002 108.267 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.444 ' HG2' HD22 ' A' ' 784' ' ' LEU . 5.3 ttpm? -143.7 6.2 1.41 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.535 -0.866 . . . . 2.8599999999999999 111.705 -169.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.515 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 22.0 t80 -77.37 125.21 28.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.38 -0.97 . . . . 0.65000000000000002 108.38 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 849' ' ' LEU . 16.9 tp -128.07 140.66 51.82 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.656 0.741 . . . . 1.29 109.901 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 1.132 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.4 m-80 -128.77 147.58 50.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.777 -1.101 . . . . 0.95999999999999996 108.155 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.12 124.35 67.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.929 -0.767 . . . . 1.1000000000000001 108.929 -176.469 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.819 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 80.0 ttt180 -99.88 134.4 42.83 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.36 -0.836 . . . . 2.77 110.463 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.472 HD21 ' O ' ' A' ' 852' ' ' ARG . 18.3 mt -117.37 138.37 51.84 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.654 -1.239 . . . . 2.1299999999999999 107.654 167.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.162 -0.923 . . . . 1.77 110.443 -165.158 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 14.9 m . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.028 0.442 . . . . 3.5499999999999998 111.089 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.431 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 18.7 pt-20 -75.75 127.82 33.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.984 -0.553 . . . . 3.25 109.787 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.3 tp -86.73 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.232 0.539 . . . . 1.4399999999999999 110.14 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.44 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -128.01 145.43 50.98 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.824 -0.806 . . . . 0.59999999999999998 108.824 -176.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.2 m -127.71 128.28 45.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 2.0600000000000001 110.68 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 783' ' ' LEU . 8.0 tp -150.58 146.9 26.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.053 -0.976 . . . . 1.4399999999999999 108.738 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 848' ' ' PHE . 7.5 mp -125.8 122.49 36.31 Favored 'General case' 0 C--N 1.315 -0.907 0 O-C-N 121.626 -0.671 . . . . 2.0699999999999998 109.708 -177.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.656 HG12 ' CE3' ' A' ' 789' ' ' TRP . 1.7 t -70.75 83.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.128 -1.397 . . . . 1.8 111.634 -168.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.67 -59.46 3.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 3.0600000000000001 111.885 -175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -104.44 32.12 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.425 -0.352 . . . . 2.3900000000000001 111.916 -171.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.576 HG11 ' HD2' ' A' ' 838' ' ' LYS . 17.5 t 47.89 70.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.392 0.615 . . . . 1.75 111.513 176.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.656 ' CE3' HG12 ' A' ' 785' ' ' VAL . 8.0 m0 -55.77 139.54 44.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.343 -0.844 . . . . 1.24 112.517 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.41 45.91 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.583 -0.525 . . . . 2.4300000000000002 109.583 173.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 45.6 t80 70.06 -50.49 0.64 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.169 -0.923 . . . . 0.60999999999999999 111.891 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.27 -41.3 96.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.97 0.414 . . . . 1.8600000000000001 110.109 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.568 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.9 OUTLIER -65.44 -40.6 93.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.684 -0.689 . . . . 1.3600000000000001 109.655 177.218 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.6 tp -63.69 -45.81 88.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.817 -1.083 . . . . 1.0900000000000001 110.33 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.65 -45.25 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 1.26 110.852 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.932 ' HE1' ' HA ' ' A' ' 796' ' ' MET . 3.9 mmt -56.9 -45.36 82.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.379 -0.373 . . . . 3.2200000000000002 111.384 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.55 92.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 1.0900000000000001 110.291 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 794' ' ' LEU . 75.6 mt -59.31 -51.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.987 -0.551 . . . . 1.3600000000000001 111.099 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -54.54 -53.15 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 1.21 111.621 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 11.5 p -67.32 -41.93 84.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.936 -0.575 . . . . 1.8400000000000001 111.455 -177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 801' ' ' LYS . 12.6 tppt? -67.92 -44.94 75.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.334 -0.394 . . . . 2.5 111.064 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.6 mt -64.59 -39.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.492 -0.322 . . . . 1.5600000000000001 110.666 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 93.4 p -86.76 -130.83 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.512 -0.313 . . . . 3.1000000000000001 110.259 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -176.57 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.774 0.321 . . . . 5.3799999999999999 111.189 177.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.532 HG21 ' N ' ' A' ' 806' ' ' HIS . 11.7 t -149.21 -37.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.984 -0.286 . . . . 5.6699999999999999 111.328 -178.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.532 ' N ' HG21 ' A' ' 805' ' ' THR . 84.2 m-70 -86.97 -142.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 7.1399999999999997 110.463 177.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.41 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 5.9 p30 -138.4 59.94 1.63 Allowed 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.47 -0.937 . . . . 6.1900000000000004 108.47 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -43.56 -33.59 1.19 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.852 -1.067 . . . . 5.7699999999999996 110.304 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.87 127.55 5.33 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.966 -1.015 . . . . 3.21 111.036 165.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 9.4 tp -87.71 -28.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.069 -1.086 . . . . 3.8199999999999998 108.069 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 18.3 m -117.87 112.6 38.38 Favored Pre-proline 0 N--CA 1.437 -1.105 0 CA-C-N 114.401 -1.272 . . . . 2.29 108.232 169.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.513 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.8 Cg_exo -71.37 64.51 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 123.315 2.677 . . . . 0.96999999999999997 111.483 -176.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 815' ' ' LYS . 32.2 mm 75.75 -26.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.532 -0.758 . . . . 2.0600000000000001 110.919 -174.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 812' ' ' PRO . 23.8 p 73.89 -29.68 0.2 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 2.4500000000000002 110.168 -170.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 813' ' ' ILE . 3.6 mmpp? -82.24 53.79 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.719 -0.673 . . . . 2.9399999999999999 110.566 173.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 24.5 pt -81.23 145.71 8.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.753 0.787 . . . . 1.7 110.656 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.744 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 73.0 tttt -126.7 144.85 50.8 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.203 -1.406 . . . . 1.96 107.203 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 8.2 p90 -126.87 145.76 50.54 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.717 0.77 . . . . 0.94999999999999996 110.41 -171.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.929 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 37.2 tt0 -130.3 145.75 51.81 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.017 -1.447 . . . . 1.3100000000000001 109.339 -173.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -125.78 136.87 53.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.388 -0.369 . . . . 1.73 110.118 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.6 tp10 54.58 23.91 5.01 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.719 -1.128 . . . . 3.3799999999999999 111.472 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 30.0 t70 51.73 45.9 27.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.959 -0.564 . . . . 5.6299999999999999 110.746 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.66 -34.55 0.08 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.062 -1.066 . . . . 1.3899999999999999 113.9 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 819' ' ' GLN . 26.3 t0 -128.25 147.79 50.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.956 0.378 . . . . 1.47 110.704 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.744 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 16.5 m-85 -124.39 134.92 52.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.926 0.87 . . . . 1.54 111.489 -171.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.456 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 46.1 t -142.47 147.47 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.129 -1.396 . . . . 2.0 108.314 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.46 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.9 p -124.79 135.24 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 118.651 0.66 . . . . 1.8400000000000001 110.396 -175.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 833' ' ' ASP . 4.3 pp -129.5 176.55 7.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 1.72 111.499 -172.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.61 -37.52 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.515 -0.766 . . . . 1.2 112.094 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -86.82 -84.68 0.17 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.642 0.238 . . . . 2.0899999999999999 111.642 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -167.16 -48.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.842 0.353 . . . . 1.79 110.902 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -50.15 -49.13 53.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.609 -0.723 . . . . 2.9300000000000002 112.887 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.511 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.3 t0 -61.24 -36.74 80.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.381 0.61 . . . . 2.1400000000000001 110.575 -177.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.536 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 23.8 t-105 -68.41 -41.13 80.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.802 -0.635 . . . . 0.28999999999999998 110.567 174.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 3.1 m120 -55.03 -53.5 55.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.367 -0.379 . . . . 2.6699999999999999 110.437 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 833' ' ' ASP . 27.6 m -63.66 -36.27 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.976 -0.556 . . . . 2.0499999999999998 111.103 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.24 -52.31 65.83 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.98 -0.288 . . . . 1.04 110.587 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.576 ' HD2' HG11 ' A' ' 788' ' ' VAL . 8.6 mtmp? -56.7 -47.17 80.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.637 -0.256 . . . . 1.8700000000000001 111.011 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 71.1 mm-40 -58.82 -46.22 88.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.144 -0.48 . . . . 2.2200000000000002 110.343 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.419 ' HE2' HD21 ' A' ' 841' ' ' LEU . 27.1 ttp -53.0 -53.41 50.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.01 -0.996 . . . . 1.0600000000000001 111.077 177.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 31.4 mt -59.62 -57.58 12.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.719 -0.673 . . . . 1.3 111.086 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.55 -50.5 72.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.528 -0.76 . . . . 1.1499999999999999 112.47 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.61 -50.93 47.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.061 0.393 . . . . 2.9199999999999999 112.061 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.616 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 78.5 m-20 -68.83 -57.94 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.409 -0.516 . . . . 1.6000000000000001 111.791 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.616 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 10.3 p30 160.38 -29.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.719 0.637 . . . . 1.8999999999999999 110.257 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.93 164.13 2.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.514 0.674 . . . . 2.9700000000000002 112.806 -172.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -163.32 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.346 -0.843 . . . . 2.8599999999999999 110.284 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.922 ' HE2' HD22 ' A' ' 850' ' ' ASN . 17.4 t80 -60.25 124.11 19.28 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.832 -0.803 . . . . 0.65000000000000002 108.832 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.6 tp -129.18 140.42 51.51 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.56 0.695 . . . . 1.29 109.749 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.929 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 2.9 m120 -128.83 145.98 51.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.071 -1.085 . . . . 0.95999999999999996 108.071 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.18 124.74 66.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.941 -0.763 . . . . 1.1000000000000001 108.941 -174.116 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.712 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 47.7 ttt180 -101.08 114.4 28.31 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.238 -0.437 . . . . 2.77 110.588 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 853' ' ' LEU . 2.7 mm? -90.34 69.8 7.03 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.629 -0.878 . . . . 2.1299999999999999 108.629 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 778' ' ' SER . 19.3 p90 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.145 -0.934 . . . . 1.77 111.871 -171.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 111.517 0.192 . . . . 3.5499999999999998 111.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.21 120.62 11.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 3.25 109.826 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.815 HD13 ' HB3' ' A' ' 850' ' ' ASN . 7.2 tp -76.95 137.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.706 -0.679 . . . . 1.4399999999999999 110.265 -176.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.613 ' HD2' HG13 ' A' ' 851' ' ' ILE . 28.9 t80 -127.73 145.84 50.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.195 -0.911 . . . . 0.59999999999999998 108.934 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.0 m -127.32 129.73 48.2 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.368 0.604 . . . . 2.0600000000000001 110.572 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.78 146.5 27.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.725 -1.125 . . . . 1.4399999999999999 109.142 -173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.1 tt -126.64 117.61 23.1 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.039 -0.665 . . . . 2.0699999999999998 109.52 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.528 HG12 ' HH2' ' A' ' 834' ' ' TRP . 14.2 m -69.72 146.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.076 -0.965 . . . . 1.8 112.113 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.87 156.4 37.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.486 -0.779 . . . . 3.0600000000000001 109.518 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.9 pttm 47.94 33.86 3.68 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.992 0.917 . . . . 2.3900000000000001 112.843 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 14.2 t 47.28 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.947 -0.57 . . . . 1.75 111.688 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.405 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 36.5 m0 -54.13 125.79 20.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 1.24 112.195 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.55 38.45 0.62 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.872 0.368 . . . . 2.4300000000000002 110.966 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.6 t80 72.76 -47.88 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.646 0.778 . . . . 0.60999999999999999 111.354 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -58.25 -47.94 81.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.01 0.433 . . . . 1.8600000000000001 110.265 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 77.0 m-20 -61.7 -41.24 97.32 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.631 -0.713 . . . . 1.3600000000000001 110.738 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.659 HD13 HD12 ' A' ' 798' ' ' ILE . 4.8 tp -62.7 -47.11 85.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 110.658 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.71 -42.04 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.489 -0.323 . . . . 1.26 111.092 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.42 -41.13 96.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.815 -0.175 . . . . 3.2200000000000002 111.077 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.62 97.98 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.754 0.311 . . . . 1.0900000000000001 110.307 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.659 HD12 HD13 ' A' ' 794' ' ' LEU . 73.4 mt -60.91 -51.84 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.803 -0.635 . . . . 1.3600000000000001 110.721 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.78 -50.51 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.21 111.554 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.4 p -65.42 -47.03 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.804 0.335 . . . . 1.8400000000000001 111.507 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.462 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 55.9 tttm -68.32 -42.29 79.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 2.5 111.644 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 15.0 mt -72.84 -39.8 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.896 0.332 . . . . 1.5600000000000001 111.896 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 71.8 p -56.65 108.6 0.51 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.5 0.667 . . . . 3.1000000000000001 111.268 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . 0.474 HD21 ' C ' ' A' ' 804' ' ' ASN . 0.3 OUTLIER -103.32 -37.3 7.71 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.108 -0.951 . . . . 5.3799999999999999 108.918 -179.526 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -91.58 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.099 -0.955 . . . . 5.6699999999999999 112.059 -175.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -171.65 39.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.569 0.211 . . . . 7.1399999999999997 111.569 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -174.44 141.41 0.69 Allowed 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.966 -0.383 . . . . 6.1900000000000004 109.966 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.72 136.47 58.01 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.399 -0.593 . . . . 5.7699999999999996 109.399 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.415 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 6.7 m120 -57.13 -27.65 62.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.909 -0.587 . . . . 3.21 111.774 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 51.4 mm 77.55 -47.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.293 0.637 . . . . 3.8199999999999998 110.073 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 61.9 m -154.59 130.44 5.42 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 108.599 -0.889 . . . . 2.29 108.599 174.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.6 Cg_exo -78.8 42.68 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.039 2.493 . . . . 0.96999999999999997 111.966 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 66.34 141.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.461 -0.791 . . . . 2.0600000000000001 109.552 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 64.3 p -86.57 44.57 1.16 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.322 0.86 . . . . 2.4500000000000002 113.322 -162.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.634 ' C ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -158.16 51.75 0.43 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.219 -1.355 . . . . 2.9399999999999999 110.585 171.359 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 43.3 pt -65.68 146.52 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 1.7 109.73 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.902 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 37.4 tttp -126.53 144.04 51.01 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.376 -0.972 . . . . 1.96 108.376 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.661 ' CZ ' HG13 ' A' ' 826' ' ' VAL . 5.9 p90 -127.64 146.05 50.68 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.855 0.836 . . . . 0.94999999999999996 111.58 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 1.009 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.1 tt0 -128.38 147.33 50.63 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.789 -1.55 . . . . 1.3100000000000001 108.846 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' A' ' 824' ' ' ASP . 10.7 p-10 -124.07 143.75 50.27 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.135 -1.061 . . . . 1.73 108.135 -178.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.797 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 83.1 tt0 -49.13 -29.47 5.39 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.27 -0.877 . . . . 3.3799999999999999 112.771 -167.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.55 -33.76 60.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 5.6299999999999999 110.717 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 119.04 48.7 0.35 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 1.3899999999999999 112.629 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.483 ' HB3' ' OD1' ' A' ' 820' ' ' ASP . 13.1 t70 -134.45 145.42 48.85 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.874 -0.331 . . . . 1.47 111.14 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.45 124.52 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.517 0.675 . . . . 1.54 110.097 -177.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.661 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -149.92 149.81 14.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 114.101 -1.408 . . . . 2.0 108.743 -171.197 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.902 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 7.3 p -122.0 136.2 59.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 O-C-N 121.557 -0.714 . . . . 1.8400000000000001 109.833 -168.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.507 ' C ' HD11 ' A' ' 828' ' ' LEU . 3.7 pp -128.57 155.39 44.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.911 -1.04 . . . . 1.72 110.52 -169.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 178.01 42.22 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.948 -0.644 . . . . 1.2 111.969 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -137.71 -71.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.863 -0.335 . . . . 2.0899999999999999 110.881 -177.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 830' ' ' SER . 50.9 t0 171.04 -56.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.339 -0.615 . . . . 1.79 109.339 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.94 -37.58 87.62 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.282 -0.872 . . . . 2.9300000000000002 111.376 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.52 -45.67 84.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.308 -0.405 . . . . 2.1400000000000001 111.32 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.528 ' HH2' HG12 ' A' ' 785' ' ' VAL . 20.8 t-105 -67.64 -43.29 80.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.601 -0.272 . . . . 0.28999999999999998 110.711 174.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.482 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 82.8 m-20 -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.654 -0.248 . . . . 2.6699999999999999 110.677 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 70.0 t -60.8 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 2.0499999999999998 110.71 175.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.505 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.68 -48.11 80.44 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.855 -0.338 . . . . 1.04 110.836 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.502 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 50.5 mtmt -56.86 -48.86 77.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 1.8700000000000001 111.236 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.344 -0.389 . . . . 2.2200000000000002 110.465 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.405 ' HE3' ' HB3' ' A' ' 840' ' ' MET . 10.2 tmm? -53.51 -49.6 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 1.0600000000000001 110.54 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 22.9 mt -62.0 -58.29 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.3 111.188 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.89 82.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.429 -0.805 . . . . 1.1499999999999999 112.515 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.98 -52.52 48.78 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.083 0.239 . . . . 2.9199999999999999 111.311 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.4 m-80 -68.38 -58.96 3.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.633 -0.427 . . . . 1.6000000000000001 111.974 -176.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 21.4 p30 156.24 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.04 0.838 . . . . 1.8999999999999999 110.023 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 846' ' ' GLU . 1.0 OUTLIER -59.39 159.91 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.322 -0.854 . . . . 2.9700000000000002 111.706 -174.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.77 -27.25 0.1 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.334 -0.394 . . . . 2.8599999999999999 110.63 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.797 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 9.0 t80 -62.39 127.79 32.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.412 -0.358 . . . . 0.65000000000000002 110.094 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.7 tp -128.4 142.97 50.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.522 0.677 . . . . 1.29 110.406 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 1.009 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.7 m-80 -128.73 146.73 50.81 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.377 -0.972 . . . . 0.95999999999999996 108.377 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.613 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.09 127.32 70.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.628 -0.508 . . . . 1.1000000000000001 109.628 -174.07 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.75 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 71.3 ttt180 -100.49 113.52 26.37 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.055 0.455 . . . . 2.77 109.814 175.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.78 56.7 2.06 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.885 -0.598 . . . . 2.1299999999999999 109.754 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.522 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 48.3 p90 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.461 -0.78 . . . . 1.77 111.236 -174.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.106 0.479 . . . . 3.5499999999999998 110.786 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.456 ' HG2' HD23 ' A' ' 853' ' ' LEU . 2.9 pm0 -75.38 128.22 34.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.807 -0.633 . . . . 3.25 109.798 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.451 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.5 tp -89.8 137.23 21.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 1.4399999999999999 110.004 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.537 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.3 t80 -128.23 145.69 50.96 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.37 -0.832 . . . . 0.59999999999999998 109.121 -177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.4 p -127.0 131.89 50.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.659 -0.497 . . . . 2.0600000000000001 109.659 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.3 tp -149.62 147.27 27.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.036 -0.984 . . . . 1.4399999999999999 109.747 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.542 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 7.4 tp -126.09 116.74 21.85 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.914 -0.772 . . . . 2.0699999999999998 108.914 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 785' ' ' VAL . 20.7 m -67.37 123.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.8 111.601 -170.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -83.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 3.0600000000000001 110.935 -172.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -83.09 35.66 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.637 -0.256 . . . . 2.3900000000000001 111.4 -176.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.789 HG12 ' HD2' ' A' ' 838' ' ' LYS . 76.3 t 71.17 -47.18 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 122.854 0.461 . . . . 1.75 110.938 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 53.2 m0 72.09 127.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.727 0.811 . . . . 1.24 111.671 175.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.8 44.64 1.13 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.769 -0.456 . . . . 2.4300000000000002 109.769 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.506 ' CE1' HD13 ' A' ' 828' ' ' LEU . 15.5 t80 71.82 -45.05 0.61 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.819 0.847 . . . . 0.60999999999999999 111.815 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 1.8600000000000001 110.259 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 1.6 t70 -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 1.3600000000000001 110.438 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -61.57 -46.14 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.06 -0.973 . . . . 1.0900000000000001 110.723 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.525 -0.307 . . . . 1.26 110.658 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.31 -44.83 88.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 3.2200000000000002 111.078 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.71 88.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 1.0900000000000001 110.643 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 794' ' ' LEU . 82.5 mt -57.65 -53.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 1.3600000000000001 111.198 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.504 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 66.8 m-20 -63.36 -36.75 84.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.508 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.5 t -62.53 -47.71 82.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.061 0.458 . . . . 1.8400000000000001 110.336 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 28.9 mmmt -69.4 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 2.5 111.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 47.7 mt -76.37 132.16 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.419 -0.355 . . . . 1.5600000000000001 111.642 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.8 t 59.6 37.03 22.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.81 -0.632 . . . . 3.1000000000000001 110.424 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 41.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 5.3799999999999999 112.567 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.3 p -72.84 -61.83 1.67 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.064 0.459 . . . . 5.6699999999999999 110.025 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.41 35.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.077 -0.965 . . . . 7.1399999999999997 109.563 174.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -144.25 150.65 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.945 -1.025 . . . . 6.1900000000000004 109.021 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 2.1 m120 -84.76 13.63 5.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.191 -0.3 . . . . 5.7699999999999996 110.191 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 t30 66.2 146.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.648 0.779 . . . . 3.21 111.918 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.567 ' N ' HD13 ' A' ' 810' ' ' ILE . 1.6 mp -72.13 -64.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.239 0.542 . . . . 3.8199999999999998 109.964 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 50.1 m -163.57 144.99 7.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.352 -0.84 . . . . 2.29 109.538 -178.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.675 ' HB2' HG22 ' A' ' 816' ' ' ILE . 6.0 Cg_exo -76.2 50.42 2.86 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.406 2.738 . . . . 0.96999999999999997 111.219 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.878 HG23 ' HE2' ' A' ' 815' ' ' LYS . 8.9 mm 68.13 15.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 114.377 -1.283 . . . . 2.0600000000000001 111.801 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 11.1 p 69.62 -41.48 0.48 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.343 1.457 . . . . 2.4500000000000002 113.59 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.878 ' HE2' HG23 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -115.17 59.13 0.71 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.175 0.988 . . . . 2.9399999999999999 110.137 177.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.675 HG22 ' HB2' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -46.04 150.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 113.651 -1.613 . . . . 1.7 110.471 173.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.429 ' HB2' ' HE2' ' A' ' 817' ' ' LYS . 18.0 ttmm -126.51 145.13 50.63 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.962 -1.125 . . . . 1.96 107.962 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.0 p90 -126.39 146.02 50.23 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.69 0.757 . . . . 0.94999999999999996 110.42 -169.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.844 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 26.2 tt0 -127.72 145.34 50.93 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.056 -1.429 . . . . 1.3100000000000001 108.657 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.74 137.33 53.23 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.422 -0.584 . . . . 1.73 109.422 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.943 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 68.1 mt-10 55.17 25.12 6.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.571 -1.195 . . . . 3.3799999999999999 111.636 -175.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.748 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 35.4 t70 54.54 51.75 13.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.124 -0.489 . . . . 5.6299999999999999 111.294 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -161.59 -25.91 0.02 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 119.379 -1.391 . . . . 1.3899999999999999 114.943 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 44.0 t0 -126.98 147.5 50.12 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.961 0.88 . . . . 1.47 110.427 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.45 ' CE1' ' OE1' ' A' ' 819' ' ' GLN . 12.3 m-85 -124.92 131.26 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.7 0.762 . . . . 1.54 111.838 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 43.4 t -145.13 148.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.054 -1.43 . . . . 2.0 107.649 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 816' ' ' ILE . 9.4 p -123.49 139.73 49.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 118.573 0.624 . . . . 1.8400000000000001 109.424 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.606 ' HB3' ' HB2' ' A' ' 833' ' ' ASP . 1.3 pp -128.16 162.68 26.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.757 . . . . 1.72 112.782 -166.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 169.6 -35.14 0.18 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 114.34 -1.3 . . . . 1.2 110.534 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 831' ' ' ASP . 0.6 OUTLIER -72.55 -8.29 54.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.212 -0.494 . . . . 2.0899999999999999 111.45 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 830' ' ' SER . 36.4 t70 77.82 -37.48 0.24 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.681 0.793 . . . . 1.79 111.0 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.06 -40.72 81.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.048 0.452 . . . . 2.9300000000000002 110.413 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.622 ' O ' HG21 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -58.18 -43.91 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.038 -0.983 . . . . 2.1400000000000001 110.266 175.02 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.608 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.7 t-105 -66.91 -42.1 85.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.498 -0.774 . . . . 0.28999999999999998 110.689 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.454 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 72.9 m-20 -58.32 -45.86 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.556 -0.293 . . . . 2.6699999999999999 111.221 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' ' 833' ' ' ASP . 19.0 m -66.91 -36.37 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.585 -0.446 . . . . 2.0499999999999998 110.847 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.512 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.24 -47.52 85.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.593 0.235 . . . . 1.04 110.767 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.789 ' HD2' HG12 ' A' ' 788' ' ' VAL . 51.9 mtmt -59.43 -44.42 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 1.8700000000000001 110.81 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 843' ' ' GLU . 51.7 mm-40 -56.59 -49.88 73.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.282 0.563 . . . . 2.2200000000000002 110.008 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.416 ' HE3' ' HB3' ' A' ' 840' ' ' MET . 41.4 ttp -53.82 -51.98 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.751 -1.113 . . . . 1.0600000000000001 111.302 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.677 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 67.1 mt -60.38 -43.3 96.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.447 -0.342 . . . . 1.3 111.012 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.26 64.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 1.1499999999999999 112.004 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 839' ' ' GLU . 56.1 mt-10 -63.93 -44.15 93.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 2.9199999999999999 110.284 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -65.57 -34.38 78.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 1.6000000000000001 111.149 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 72.29 20.04 4.22 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.591 0.756 . . . . 1.8999999999999999 109.27 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.943 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 47.1 tp10 -94.1 -45.4 7.57 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.737 -1.12 . . . . 2.9700000000000002 110.161 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.677 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 36.7 ttmt 69.08 -19.24 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.286 0.847 . . . . 2.8599999999999999 113.286 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.414 ' H ' ' C ' ' A' ' 846' ' ' GLU . 2.7 t80 -61.31 124.57 20.97 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.65000000000000002 110.414 -177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 20.3 tp -128.35 140.42 51.87 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.55 -0.75 . . . . 1.29 109.846 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.844 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 1.6 m120 -128.35 145.97 50.91 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.522 -1.288 . . . . 0.95999999999999996 107.522 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.537 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.8 OUTLIER -126.8 127.8 70.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.564 -0.532 . . . . 1.1000000000000001 109.564 -173.509 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.4 ' HB2' ' HE2' ' A' ' 825' ' ' PHE . 51.6 ttt180 -106.96 127.59 53.58 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.721 -0.672 . . . . 2.77 110.265 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.456 HD23 ' HG2' ' A' ' 779' ' ' GLU . 2.8 mm? -103.69 137.79 41.23 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.172 -1.047 . . . . 2.1299999999999999 108.172 175.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.4 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.762 -0.637 . . . . 1.77 110.22 -173.416 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 5.9 pt-20 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.248 0.547 . . . . 3.25 111.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.4 tp -107.32 141.53 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.06 -0.973 . . . . 0.75 110.71 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.577 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.9 t80 -130.37 145.87 51.86 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.964 -1.016 . . . . 0.52 108.839 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.749 HG22 ' ND2' ' A' ' 850' ' ' ASN . 67.5 p -126.68 126.77 44.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.927 -0.398 . . . . 1.39 109.927 -175.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 17.7 tp -150.51 147.22 27.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.889 . . . . 0.83 109.994 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.75 126.2 44.21 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.918 -0.489 . . . . 1.53 109.932 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.697 HG11 ' HH2' ' A' ' 834' ' ' TRP . 17.1 m -72.4 87.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.627 -1.17 . . . . 1.1 113.195 -169.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -74.22 140.94 45.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.861 -0.609 . . . . 3.06 110.786 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 22.8 pttp 46.74 32.02 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 1.8 113.455 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.4 t 49.62 90.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.523 0.678 . . . . 1.7 112.585 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.487 ' CE3' HG12 ' A' ' 785' ' ' VAL . 22.5 m0 -68.62 140.28 55.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.56 -0.745 . . . . 0.5 112.889 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -86.71 42.32 1.01 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.839 -0.618 . . . . 2.06 110.549 175.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.515 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.9 t80 69.69 -54.78 0.6 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.992 0.917 . . . . 0.47 112.174 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.93 -41.53 96.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.221 0.534 . . . . 1.86 109.729 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.69 -39.39 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.304 -0.862 . . . . 1.36 110.092 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.1 tp -67.06 -45.8 76.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.017 -0.992 . . . . 0.22 110.83 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.95 -49.04 86.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.823 0.344 . . . . 0.51 111.019 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -40.88 88.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 2.69 110.96 178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.2 99.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.425 -0.352 . . . . 0.27 110.923 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 794' ' ' LEU . 79.6 mt -57.21 -49.76 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.608 . . . . 0.67 110.411 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.73 -37.94 87.77 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.005 -0.543 . . . . 1.21 111.038 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 49.7 m -54.09 -46.09 71.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.169 0.509 . . . . 1.29 109.837 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.437 ' HG3' ' HZ ' ' A' ' 781' ' ' PHE . 46.0 mmtm -69.23 -56.49 7.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.07 175.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.637 -0.256 . . . . 1.56 111.57 -176.019 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 CA--C 1.528 0.191 0 CA-C-O 120.675 0.198 . . . . 0.88 112.388 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 813' ' ' ILE . 35.2 mm 68.1 -3.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.938 -0.573 . . . . 1.67 110.889 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.43 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 44.8 p 59.13 9.2 1.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.427 1.091 . . . . 1.9 111.59 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.0 mmpt? -103.79 43.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 2.52 109.972 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.821 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -70.91 134.26 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.867 0.842 . . . . 1.06 111.366 -176.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.92 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 31.6 tttp -127.26 139.69 52.74 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.163 -1.421 . . . . 1.35 107.163 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.652 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 14.3 p90 -127.61 145.76 50.77 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.817 0.818 . . . . 0.3 111.697 -170.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.907 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 2.9 tt0 -128.39 144.22 51.11 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.421 -1.263 . . . . 1.08 109.42 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.522 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.4 p30 -126.61 141.04 51.98 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.04 -0.527 . . . . 1.73 109.995 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 59.4 18.43 6.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.286 -0.87 . . . . 3.38 110.165 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.7 t0 53.71 38.69 28.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.325 -0.852 . . . . 5.63 110.972 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.23 -29.05 0.2 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.805 -1.188 . . . . 1.39 114.424 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 11.1 t70 -127.63 145.41 50.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.747 0.774 . . . . 1.47 110.223 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -125.71 128.96 48.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.594 0.712 . . . . 1.16 111.328 -172.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.14 148.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.381 -1.281 . . . . 1.35 108.855 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.92 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 8.4 p -123.87 141.63 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 121.518 -0.739 . . . . 1.22 110.547 -169.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.631 HD23 ' CD1' ' A' ' 818' ' ' TYR . 4.6 pp -129.74 172.59 11.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.473 -0.785 . . . . 1.03 111.14 -171.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.04 -48.89 0.03 OUTLIER Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.914 -0.875 . . . . 1.2 110.914 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -83.09 144.57 29.79 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.221 -0.659 . . . . 1.93 109.221 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.62 65.94 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.356 0.598 . . . . 1.79 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -149.09 -47.35 0.14 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.031 -0.729 . . . . 2.93 109.031 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 31.6 m-20 -62.94 -37.14 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.606 -0.725 . . . . 2.14 109.205 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.697 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.2 t-105 -65.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.123 -0.944 . . . . 0.26 110.759 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -60.07 -46.09 90.73 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.631 -0.507 . . . . 2.0 109.631 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.64 -45.69 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.369 -0.832 . . . . 1.36 110.636 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.91 -50.22 73.07 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 111.884 0.327 . . . . 0.19 111.884 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.538 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 51.6 mtmt -57.87 -45.44 86.32 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 121.148 -0.221 . . . . 1.22 110.836 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.47 -42.21 98.42 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.041 0.448 . . . . 2.22 110.344 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 38.6 ttp -57.8 -55.68 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.34 -0.845 . . . . 0.76 110.379 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.3 mt -54.46 -49.49 69.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.255 -0.43 . . . . 0.62 111.348 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.69 71.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.206 0.447 . . . . 0.61 112.206 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -68.58 -46.2 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 2.92 110.865 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.539 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 10.0 m-20 -64.59 -35.3 80.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 1.53 110.428 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.539 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 96.2 -12.53 0.09 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.216 . . . . 1.9 109.788 -175.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -71.54 152.92 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.318 -0.855 . . . . 2.97 110.364 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 82.6 tttt -142.47 -17.02 0.72 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.283 -0.417 . . . . 2.4 110.617 -174.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.45 ' HE2' HD22 ' A' ' 850' ' ' ASN . 10.9 t80 -61.89 124.8 21.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.74 -0.467 . . . . 0.54 109.74 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.0 tp -128.42 144.22 51.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.349 0.595 . . . . 0.56 109.413 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.907 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 32.0 m120 -128.13 145.41 51.02 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.274 -1.009 . . . . 0.96 108.274 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.651 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -126.93 124.43 64.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.212 -0.662 . . . . 0.35 109.212 -175.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.4 ttm180 -106.71 137.98 43.73 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 116.274 -0.421 . . . . 2.38 110.6 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 852' ' ' ARG . 12.7 mt -119.65 138.1 53.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 107.712 -1.218 . . . . 1.56 107.712 167.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--N 1.312 -1.035 0 CA-C-O 118.231 -0.89 . . . . 1.77 110.943 -165.64 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.641 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 6.0 pt-20 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.221 0.534 . . . . 3.25 109.852 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 850' ' ' ASN . 6.6 tp -91.0 139.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.624 -0.716 . . . . 0.75 109.576 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.64 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.8 t80 -127.57 145.25 50.93 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.818 -0.808 . . . . 0.52 108.818 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.1 m -127.29 128.86 46.65 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.838 -0.43 . . . . 1.39 109.838 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.6 tp -149.98 147.64 28.1 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.638 -1.165 . . . . 0.83 109.376 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.46 121.94 35.22 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.359 -0.608 . . . . 1.53 109.359 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.689 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.5 t -71.35 123.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.055 -1.43 . . . . 1.1 112.037 -167.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -80.2 -115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.048 -0.978 . . . . 3.06 111.138 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.785 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -76.53 54.71 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 1.8 111.821 -177.644 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.56 ' CG1' ' HD2' ' A' ' 838' ' ' LYS . 88.9 t 71.38 -50.61 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 123.024 0.53 . . . . 1.7 112.003 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.689 ' CE3' HG13 ' A' ' 785' ' ' VAL . 51.5 m0 71.08 124.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.271 0.628 . . . . 0.5 111.507 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -83.92 47.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.978 -0.451 . . . . 2.06 110.8 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.426 ' HD1' HD23 ' A' ' 794' ' ' LEU . 25.5 t80 69.65 -47.48 0.6 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.094 0.958 . . . . 0.47 112.274 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 796' ' ' MET . 54.1 m-20 -60.84 -40.09 91.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.663 0.268 . . . . 1.86 110.628 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -61.91 -41.26 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.314 0.578 . . . . 1.36 110.236 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.4 tp -62.42 -43.86 97.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.872 -1.058 . . . . 0.22 110.198 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.28 -42.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.51 110.849 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.513 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.1 mtp -59.46 -44.8 92.9 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 2.69 111.133 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.63 96.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.052 0.453 . . . . 0.27 110.359 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 794' ' ' LEU . 77.4 mt -60.23 -47.48 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.423 -0.808 . . . . 0.67 110.689 176.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -60.82 -43.29 98.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 1.21 111.367 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 13.4 t -67.38 -50.43 59.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.874 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -68.93 -51.04 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.657 0.614 . . . . 1.95 112.657 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.631 0.253 . . . . 1.56 110.472 179.499 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.0 Cg_exo . . . . . 0 N--CA 1.463 -0.267 0 CA-C-O 120.656 0.19 . . . . 0.88 111.984 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 70.83 -16.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.512 0.725 . . . . 1.67 110.985 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.498 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 0.0 OUTLIER 58.29 11.52 1.63 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.271 1.029 . . . . 1.9 111.72 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.679 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.5 mmpt? -106.41 37.74 2.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.793 -0.817 . . . . 2.52 108.793 173.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -72.05 152.22 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.885 -1.052 . . . . 1.06 111.527 -173.409 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.966 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.8 mttt -126.55 146.06 50.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.712 -1.585 . . . . 1.35 107.478 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.686 ' HD2' HD12 ' A' ' 828' ' ' LEU . 7.3 p90 -126.25 143.85 51.0 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.654 0.74 . . . . 0.3 109.734 -175.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.914 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 6.5 tt0 -128.47 141.05 51.51 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.038 -1.437 . . . . 1.08 109.057 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.446 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 3.5 p30 -126.41 139.88 52.92 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.914 -0.585 . . . . 1.73 110.012 -171.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 56.21 19.92 4.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.615 -1.175 . . . . 3.38 110.72 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 27.1 t70 54.29 44.25 29.3 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.217 -0.901 . . . . 5.63 110.878 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -147.31 -27.09 0.08 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 119.882 -1.151 . . . . 1.39 114.401 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 1.8 m-20 -127.23 145.88 50.61 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 117.627 0.713 . . . . 1.47 110.506 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.36 128.94 47.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.577 0.703 . . . . 1.16 110.943 -172.558 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.3 148.98 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.455 -1.248 . . . . 1.35 109.009 -172.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.872 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 7.4 p -123.31 138.65 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 121.445 -0.784 . . . . 1.22 110.996 -169.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -133.61 168.88 17.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.173 -0.921 . . . . 1.03 110.837 -173.403 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -172.03 -35.37 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.797 -0.716 . . . . 1.2 111.93 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.0 p -79.04 -74.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.572 0.225 . . . . 1.93 111.244 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t70 179.64 -45.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.069 -0.514 . . . . 1.79 110.552 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 832' ' ' GLU . 5.3 mp0 -52.63 -45.85 66.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.363 -0.835 . . . . 2.93 111.94 -174.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 836' ' ' VAL . 56.8 m-20 -66.25 -37.73 86.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.444 . . . . 2.14 111.169 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.644 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 18.5 t-105 -67.83 -40.46 83.77 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.549 -0.46 . . . . 0.26 109.783 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.549 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.3 t30 -58.69 -47.27 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 2.0 111.188 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 833' ' ' ASP . 7.4 p -65.24 -36.56 78.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 120.817 -0.353 . . . . 1.36 110.576 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.1 -51.66 68.68 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.562 0.22 . . . . 0.19 111.245 176.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 49.0 mtmt -56.68 -47.81 79.04 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.253 -0.431 . . . . 1.22 110.708 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.42 -44.68 95.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.671 -0.695 . . . . 2.22 110.708 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.446 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.9 ttp -53.55 -50.64 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.716 -0.675 . . . . 0.76 111.182 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 24.7 mt -59.68 -57.25 13.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 0.62 110.974 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.95 82.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.817 -0.629 . . . . 0.61 112.236 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -65.44 -52.11 55.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.517 . . . . 2.92 111.313 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.0 m-80 -68.78 -58.6 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.061 -0.255 . . . . 1.53 111.28 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 19.4 p30 158.42 -30.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.955 0.785 . . . . 1.9 110.784 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.13 -178.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.924 1.083 . . . . 2.97 113.924 -169.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -164.43 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.649 -1.614 . . . . 2.4 109.932 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.22 123.72 17.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.632 -0.507 . . . . 0.54 109.632 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.2 tp -130.75 142.94 50.43 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.58 0.705 . . . . 0.56 109.806 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.914 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.3 m-80 -128.29 146.03 50.88 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.864 -1.162 . . . . 0.96 107.864 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.64 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.9 OUTLIER -125.96 124.74 66.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.981 -0.748 . . . . 0.35 108.981 -173.841 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.966 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.2 ttt85 -95.97 122.46 38.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.594 -0.73 . . . . 2.38 110.44 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 6.4 mp -114.38 63.58 0.66 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.959 -1.126 . . . . 1.56 107.959 169.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.829 ' HE2' ' HE3' ' A' ' 817' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.657 0 CA-C-N 113.396 -1.729 . . . . 1.77 111.899 -175.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.578 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 83.8 mt-10 . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 122.294 1.045 . . . . 3.25 109.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 779' ' ' GLU . 0.4 OUTLIER 170.04 128.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 112.592 -2.095 . . . . 0.75 108.904 176.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.436 ' N ' HD13 ' A' ' 780' ' ' ILE . 26.4 t80 -149.59 146.67 27.44 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.115 -1.069 . . . . 0.52 108.115 -175.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.7 t -126.3 132.87 51.56 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.385 0.612 . . . . 1.39 110.641 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.1 tp -150.14 148.18 28.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 113.932 -1.485 . . . . 0.83 109.065 -169.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.509 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 8.3 tp -125.02 118.63 26.64 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.21 -0.663 . . . . 1.53 109.21 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.517 HG11 ' HH2' ' A' ' 834' ' ' TRP . 24.8 m -64.8 132.82 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.013 -0.994 . . . . 1.1 111.408 -172.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -94.54 -116.64 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.4 -0.818 . . . . 3.06 110.81 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.1 OUTLIER -73.6 42.77 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.439 0.533 . . . . 1.8 112.439 -176.584 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.25 81.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.562 0.696 . . . . 1.7 110.953 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.453 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 26.6 m0 -63.96 138.0 58.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.151 -0.931 . . . . 0.5 112.479 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -84.95 41.37 0.86 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.052 -0.522 . . . . 2.06 110.68 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.482 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.8 t80 68.96 -51.87 0.58 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.658 0.783 . . . . 0.47 111.933 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.47 -43.16 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 1.86 109.965 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 796' ' ' MET . 3.1 m-20 -62.08 -41.49 98.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.186 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -64.01 -42.73 97.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.085 -0.962 . . . . 0.22 110.499 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 791' ' ' PHE . 28.3 mm -61.54 -51.03 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.458 -0.337 . . . . 0.51 111.668 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 27.0 ptm -62.64 -36.62 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.138 -0.225 . . . . 2.69 110.405 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 797' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 801' ' ' LYS . . . -62.38 -51.25 68.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.27 110.454 175.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 794' ' ' LEU . 94.0 mt -53.85 -50.67 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.196 0.522 . . . . 0.67 110.879 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -58.17 -51.24 70.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.356 -0.838 . . . . 1.21 111.941 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 29.7 t -65.43 -39.25 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.275 -0.42 . . . . 1.29 111.387 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 797' ' ' ALA . 29.0 mmmt -68.05 -42.26 80.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.341 -0.224 . . . . 1.95 111.151 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.661 0.267 . . . . 1.56 111.409 -178.494 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 814' ' ' THR . 1.6 Cg_endo . . . . . 0 N--CA 1.459 -0.534 0 CA-C-O 120.714 0.214 . . . . 0.88 111.686 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 815' ' ' LYS . 35.6 mm 73.21 -14.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.78 -0.646 . . . . 1.67 111.591 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 27.8 p 70.46 -29.63 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 1.9 111.707 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.5 OUTLIER -75.58 67.35 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.792 -0.448 . . . . 2.52 109.792 173.414 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.9 pt -99.65 139.67 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 122.212 1.006 . . . . 1.06 111.845 -174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.657 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 79.8 mttt -127.8 146.65 50.53 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.722 -1.581 . . . . 1.35 108.294 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.5 p90 -126.74 145.14 50.71 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.331 0.586 . . . . 0.3 109.849 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.9 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 7.0 tt0 -128.15 143.19 51.03 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.951 -1.022 . . . . 1.08 109.313 -176.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.71 144.46 50.92 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.247 -0.649 . . . . 1.73 109.247 -176.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 84.9 mt-10 62.94 9.14 3.54 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.25 -0.886 . . . . 3.38 112.073 -175.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.1 t0 57.58 50.59 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 5.63 110.131 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -158.71 -24.94 0.03 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.226 -0.988 . . . . 1.39 114.088 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 35.8 t70 -127.8 145.4 50.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.427 0.614 . . . . 1.47 110.325 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -125.28 131.84 53.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.707 0.765 . . . . 1.16 110.996 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 23.9 t -137.79 149.21 25.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.304 -1.316 . . . . 1.35 108.329 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.657 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 11.9 p -123.4 133.77 68.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.238 -0.653 . . . . 1.22 109.238 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.1 pp -128.51 156.79 42.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.347 -0.842 . . . . 1.03 111.535 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -171.59 -30.01 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 1.2 112.054 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.6 m -82.34 14.52 2.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.771 -0.252 . . . . 1.93 111.451 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.01 -45.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.759 0.824 . . . . 1.79 112.385 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -57.98 -36.07 72.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 2.93 111.081 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 1.6 m-20 -56.18 -40.32 73.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.918 -0.583 . . . . 2.14 110.669 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.517 ' HH2' HG11 ' A' ' 785' ' ' VAL . 33.1 t-105 -64.96 -41.78 95.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.26 110.654 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.469 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 33.8 m120 -58.6 -41.68 86.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.263 -0.426 . . . . 2.0 110.072 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.18 -45.05 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.708 . . . . 1.36 110.664 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.85 -47.22 87.34 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.66 0.244 . . . . 0.19 111.66 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 7.4 mtmp? -57.76 -50.38 73.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.083 0.468 . . . . 1.22 110.723 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -41.19 98.3 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.368 -0.833 . . . . 2.22 110.152 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 38.2 ttp -52.33 -51.08 60.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.069 -0.514 . . . . 0.76 110.575 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 25.8 mt -59.7 -57.49 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.62 110.96 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.96 76.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.697 -0.683 . . . . 0.61 112.621 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -50.09 65.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 2.92 111.197 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 14.2 m-20 -68.69 -59.18 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 1.53 110.987 -176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 20.7 p30 152.34 -26.5 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.053 0.941 . . . . 1.9 110.026 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 13.7 tp10 -67.41 168.98 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.791 . . . . 2.97 111.728 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.509 ' HG2' ' HG ' ' A' ' 784' ' ' LEU . 36.6 ttmt -154.65 -22.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.957 -0.565 . . . . 2.4 110.96 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.55 124.32 19.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.261 -0.274 . . . . 0.54 110.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 819' ' ' GLN . 18.9 tp -128.9 145.34 51.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.598 . . . . 0.56 110.606 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.9 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 36.5 m120 -133.76 145.27 49.65 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.942 -0.762 . . . . 0.96 108.942 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -128.17 129.99 69.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.634 0.254 . . . . 0.35 110.764 -176.4 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 779' ' ' GLU . 74.8 ttt180 -112.68 118.75 35.9 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.853 -0.339 . . . . 2.38 111.035 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.586 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -111.99 133.82 53.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.019 -1.104 . . . . 1.56 108.019 168.658 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 817' ' ' LYS . 32.2 p90 . . . . . 0 C--N 1.314 -0.973 0 CA-C-O 118.378 -0.82 . . . . 1.77 110.907 -165.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 1.6 pm0 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 121.371 0.605 . . . . 3.25 110.15 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -100.08 138.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.929 -1.032 . . . . 0.75 109.484 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.491 ' HD2' HG13 ' A' ' 851' ' ' ILE . 12.2 t80 -128.15 145.32 51.06 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.243 -0.651 . . . . 0.52 109.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.7 m -127.06 131.44 50.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.408 -0.59 . . . . 1.39 109.408 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.64 146.28 27.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.043 -0.98 . . . . 0.83 109.975 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.92 118.68 25.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.23 -0.656 . . . . 1.53 109.23 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.486 HG11 ' HH2' ' A' ' 834' ' ' TRP . 10.8 m -68.16 129.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 1.1 111.033 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 787' ' ' LYS . 27.1 tp10 -95.45 -108.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.791 -0.64 . . . . 3.06 111.109 -173.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.654 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER -76.12 47.43 0.45 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.176 0.436 . . . . 1.8 112.176 -175.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 22.5 t 57.56 70.27 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.327 0.584 . . . . 1.7 110.781 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 40.8 m0 -55.79 134.64 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.5 111.563 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -94.82 48.47 1.2 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 2.06 110.65 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.449 ' O ' HG12 ' A' ' 795' ' ' ILE . 18.9 t80 71.18 -53.27 0.68 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.682 0.793 . . . . 0.47 111.578 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.79 -42.04 96.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 1.86 110.171 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 796' ' ' MET . 43.5 m-20 -63.93 -41.91 97.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.59 0.709 . . . . 1.36 110.674 176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 798' ' ' ILE . 2.6 tp -63.69 -40.73 97.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.078 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 791' ' ' PHE . 34.5 mm -64.91 -45.87 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.543 177.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 25.5 ptm -61.91 -36.91 82.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.982 -0.287 . . . . 2.69 110.546 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.51 88.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.009 0.433 . . . . 0.27 110.353 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 794' ' ' LEU . 78.2 mt -59.2 -46.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.665 -0.698 . . . . 0.67 110.678 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.32 -47.99 83.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 1.21 111.828 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.3 p -68.41 -47.75 66.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.758 0.313 . . . . 1.29 111.495 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.87 -45.25 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.778 0.658 . . . . 1.95 112.778 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 798' ' ' ILE . 42.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.308 . . . . 1.56 110.476 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' A' ' 814' ' ' THR . 8.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.965 0.319 . . . . 0.88 111.659 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm 71.4 -10.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.48 -0.782 . . . . 1.67 110.847 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.517 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 52.3 p 59.96 11.42 2.61 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.409 1.084 . . . . 1.9 111.244 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.73 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -111.95 47.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 2.52 109.603 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 828' ' ' LEU . 34.2 pt -84.52 141.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.742 0.782 . . . . 1.06 111.115 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -126.71 143.79 51.13 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.958 -1.497 . . . . 1.35 106.958 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CD2' HD23 ' A' ' 828' ' ' LEU . 12.0 p90 -126.54 147.45 49.86 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.338 0.59 . . . . 0.3 110.406 -164.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.012 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.7 tt0 -126.3 144.85 50.65 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.525 -1.216 . . . . 1.08 108.867 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 0.2 OUTLIER -126.55 148.12 49.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.269 -0.878 . . . . 1.73 109.601 -170.024 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -32.58 -36.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.058 1.743 . . . . 3.38 113.675 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.18 -31.47 71.21 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.219 0.533 . . . . 5.63 111.272 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 105.75 48.75 1.0 Allowed Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.876 -0.889 . . . . 1.39 110.876 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 36.9 t70 -134.89 149.4 50.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.293 -0.453 . . . . 1.47 111.11 -171.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -123.59 129.4 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 122.034 0.921 . . . . 1.16 110.911 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 75.1 t -141.34 148.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 113.863 -1.517 . . . . 1.35 107.91 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.6 p -123.15 135.49 62.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 118.323 0.51 . . . . 1.22 109.665 -172.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.685 HD11 HD11 ' A' ' 816' ' ' ILE . 4.4 pp -128.86 156.85 43.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.03 -0.986 . . . . 1.03 111.866 -166.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 171.56 32.28 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.258 -0.883 . . . . 1.2 112.043 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -154.92 27.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.723 0.262 . . . . 1.93 110.917 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.63 -54.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.43 0.692 . . . . 1.79 112.775 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -56.87 -44.46 82.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.927 0.491 . . . . 2.93 110.62 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -47.37 76.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.79 . . . . 2.14 111.037 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.486 ' HH2' HG11 ' A' ' 785' ' ' VAL . 31.8 t-105 -63.19 -39.57 95.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 0.26 110.944 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.505 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 49.2 t30 -59.49 -40.69 87.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.984 -0.287 . . . . 2.0 110.319 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.18 -45.52 95.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 1.36 110.43 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.632 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.13 -48.86 77.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.675 0.274 . . . . 0.19 111.117 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.505 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 9.2 mtmp? -58.84 -49.94 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 1.22 110.972 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.06 -44.2 91.79 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.024 -0.534 . . . . 2.22 110.289 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 837' ' ' ALA . 36.2 ttp -52.51 -54.02 38.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.76 111.164 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 1.018 ' HA ' ' HG2' ' A' ' 846' ' ' GLU . 25.1 mt -58.94 -57.78 11.54 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.306 0.574 . . . . 0.62 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.25 84.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.554 -0.748 . . . . 0.61 112.628 -173.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.39 -52.04 37.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.975 -0.29 . . . . 2.92 111.482 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 75.6 m-80 -69.5 -58.23 4.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.178 -0.609 . . . . 1.53 111.453 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 16.8 p30 158.73 -27.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.123 0.569 . . . . 1.9 110.783 176.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 1.018 ' HG2' ' HA ' ' A' ' 841' ' ' LEU . 3.6 pm0 -59.46 168.97 1.37 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.668 0.747 . . . . 2.97 112.819 -174.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 847' ' ' LYS . 0.4 OUTLIER -153.35 -28.19 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.112 -0.949 . . . . 2.4 110.15 178.408 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.482 ' HE2' HD21 ' A' ' 850' ' ' ASN . 5.4 t80 -57.19 127.82 33.86 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.54 110.576 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.7 tp -130.45 138.94 50.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 0.56 110.002 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.92 146.61 50.9 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.59 -0.893 . . . . 0.96 108.59 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.491 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -126.29 124.79 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.441 -0.577 . . . . 0.35 109.441 -177.033 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.501 ' NE ' ' HB3' ' A' ' 854' ' ' TYR . 75.7 ttt180 -102.93 129.97 49.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.329 -0.85 . . . . 2.38 110.479 -178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.636 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 10.0 mt -109.83 74.07 0.87 Allowed 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.468 -0.938 . . . . 1.56 108.468 166.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.501 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-N 114.386 -1.279 . . . . 1.77 112.184 -172.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 3.25 109.304 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.49 140.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.457 0.646 . . . . 0.75 109.907 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.607 ' HE2' HD13 ' A' ' 798' ' ' ILE . 20.5 t80 -127.67 145.89 50.74 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.52 108.818 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.662 HG22 ' OD1' ' A' ' 850' ' ' ASN . 16.3 p -126.14 128.38 47.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.109 0.48 . . . . 1.39 109.717 -173.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 30.3 tp -149.55 147.61 28.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.993 -1.003 . . . . 0.83 109.629 -170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 848' ' ' PHE . 8.3 tp -125.83 112.75 16.38 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.696 -0.853 . . . . 1.53 108.696 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.488 HG12 ' CZ3' ' A' ' 789' ' ' TRP . 30.6 m -64.83 112.39 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 1.1 109.953 -174.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.63 -35.88 81.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.059 -0.973 . . . . 3.06 110.222 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 -165.66 0.92 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.919 -1.037 . . . . 1.8 108.232 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.2 119.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.244 0.545 . . . . 1.7 110.091 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.488 ' CZ3' HG12 ' A' ' 785' ' ' VAL . 14.2 m0 -110.96 122.04 46.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.511 -0.768 . . . . 0.5 109.821 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -80.29 41.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.891 0.377 . . . . 2.06 110.869 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 27.5 t80 69.42 -45.15 0.56 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.269 1.028 . . . . 0.47 111.97 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -61.73 -44.13 97.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.393 0.14 . . . . 1.86 110.664 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -59.91 -46.9 87.89 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.518 0.675 . . . . 1.36 109.957 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 798' ' ' ILE . 7.1 tp -59.46 -50.19 74.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.563 -1.198 . . . . 0.22 111.138 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.6 mm -66.45 -37.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.208 0.447 . . . . 0.51 112.208 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 70.7 mtm -61.25 -44.28 97.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.084 -0.339 . . . . 2.69 110.084 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.25 99.71 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.803 -0.635 . . . . 0.27 110.28 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 794' ' ' LEU . 31.4 mm -56.4 -58.16 6.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 CA-C-N 115.903 -0.59 . . . . 0.67 110.881 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -59.09 -46.26 88.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.539 . . . . 1.21 111.734 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.0 t -59.8 -52.01 67.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.172 -0.467 . . . . 1.29 110.741 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -68.44 -37.8 80.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.606 0.595 . . . . 1.95 112.606 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 798' ' ' ILE . 30.6 mm . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 121.241 0.543 . . . . 1.56 109.926 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 853' ' ' LEU . 74.1 Cg_endo . . . . . 0 N--CA 1.46 -0.494 0 CA-C-O 120.978 0.324 . . . . 0.88 111.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 814' ' ' THR . 49.1 mm 71.29 -53.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.022 -0.99 . . . . 1.67 110.39 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 813' ' ' ILE . 2.5 t 176.78 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 1.9 109.585 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.416 ' CA ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -87.06 144.95 26.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.881 -0.6 . . . . 2.52 111.711 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 852' ' ' ARG . 15.4 pt -146.27 153.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.427 -0.806 . . . . 1.06 109.858 176.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.3 mtpt -127.75 146.08 50.7 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.991 -1.115 . . . . 1.35 107.991 174.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.706 ' HD2' HD12 ' A' ' 828' ' ' LEU . 11.9 p90 -126.67 146.03 50.35 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.495 0.664 . . . . 0.3 110.473 -171.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.059 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 6.5 tt0 -127.8 143.94 51.11 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.324 -1.307 . . . . 1.08 109.503 -174.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -126.07 135.99 52.41 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.406 0.441 . . . . 1.73 109.986 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.5 tp10 55.43 25.35 7.62 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.01 -1.45 . . . . 3.38 110.589 -173.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.428 ' HA ' ' HG2' ' A' ' 819' ' ' GLN . 19.6 t70 51.16 40.09 25.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.023 -0.99 . . . . 5.63 110.763 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -129.2 -40.12 0.29 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.179 -1.01 . . . . 1.39 113.784 -173.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 2.2 m-20 -128.14 147.06 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.304 0.552 . . . . 1.47 111.674 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.933 ' HD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.73 131.95 53.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.528 0.68 . . . . 1.16 110.369 -172.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.16 150.78 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 113.674 -1.603 . . . . 1.35 108.366 -169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.742 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.8 p -121.4 134.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.156 -0.965 . . . . 1.22 111.009 -166.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.706 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -139.37 159.41 42.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.986 -1.461 . . . . 1.03 110.572 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.14 45.24 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.53 -0.843 . . . . 1.2 112.529 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 34.0 t -144.37 -74.91 0.24 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.786 -0.365 . . . . 1.93 110.578 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 27.4 t70 175.93 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 1.79 109.895 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 836' ' ' VAL . 34.0 tt0 -58.64 -44.79 90.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 2.93 110.424 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.484 ' CG ' ' HB2' ' A' ' 828' ' ' LEU . 1.5 p30 -57.22 -47.82 80.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 2.14 111.611 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.448 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 28.8 t-105 -66.18 -38.08 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.157 -0.217 . . . . 0.26 110.725 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -59.37 -42.24 91.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 110.34 -0.244 . . . . 2.0 110.34 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 832' ' ' GLU . 75.2 t -59.63 -45.52 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 1.36 110.413 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.29 -51.95 67.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.657 -0.247 . . . . 0.19 111.111 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.448 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 31.3 mtmm -58.39 -47.48 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.592 -0.276 . . . . 1.22 111.506 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.42 -41.96 98.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.639 -0.255 . . . . 2.22 110.691 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -56.52 -52.57 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.261 -0.427 . . . . 0.76 110.683 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.42 -57.84 11.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.186 0.517 . . . . 0.62 111.334 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.18 81.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.61 112.23 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -68.58 -51.12 46.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.492 -0.322 . . . . 2.92 111.189 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 36.7 m-20 -69.17 -58.28 4.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.853 -0.339 . . . . 1.53 111.588 -175.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 7.6 p30 158.08 -31.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.884 0.74 . . . . 1.9 109.715 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 31.4 mp0 -55.5 159.47 2.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.613 -0.721 . . . . 2.97 112.421 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -153.13 -25.8 0.15 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.76 -0.654 . . . . 2.4 110.929 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 784' ' ' LEU . 13.9 t80 -65.74 131.26 45.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.056 -0.35 . . . . 0.54 110.056 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.606 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 13.2 tp -128.64 145.01 51.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.603 0.716 . . . . 0.56 110.325 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.059 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.5 m-80 -128.49 145.09 51.21 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.884 -1.154 . . . . 0.96 107.884 177.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -127.62 129.22 70.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.715 -0.394 . . . . 0.35 110.296 -172.057 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 55.5 ttt180 -106.99 124.43 49.61 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 116.119 -0.492 . . . . 2.38 110.424 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -119.75 138.1 53.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.618 -0.882 . . . . 1.56 108.618 170.047 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.577 ' HD2' ' HG2' ' A' ' 852' ' ' ARG . 35.9 p90 . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 118.392 -0.814 . . . . 1.77 110.201 -167.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 43.0 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.945 0.402 . . . . 3.25 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.3 tp -113.88 134.94 55.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.736 -0.665 . . . . 0.75 110.196 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HD2' HG13 ' A' ' 851' ' ' ILE . 27.6 t80 -128.68 146.84 50.76 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.76 -0.83 . . . . 0.52 108.76 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 98.5 m -126.1 127.17 45.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.384 0.611 . . . . 1.39 109.937 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 22.6 tp -149.82 146.54 27.2 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.395 -1.275 . . . . 0.83 108.743 -172.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 847' ' ' LYS . 4.8 tt -126.85 119.83 27.75 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 119.953 -0.699 . . . . 1.53 109.649 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -65.51 132.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.705 -1.134 . . . . 1.1 111.978 -170.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -86.86 -120.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 3.06 110.788 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.89 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -73.11 53.76 0.38 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.332 -0.849 . . . . 1.8 112.225 -178.499 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 21.4 t 56.05 74.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.366 0.603 . . . . 1.7 111.142 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 35.9 m0 -57.92 129.65 42.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.5 -0.773 . . . . 0.5 111.9 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -84.19 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.353 0.596 . . . . 2.06 110.531 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 15.8 t80 69.16 -53.23 0.59 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.938 0.895 . . . . 0.47 112.484 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.77 -40.88 94.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.838 0.351 . . . . 1.86 110.691 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 796' ' ' MET . 1.1 m-20 -65.16 -40.18 93.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 1.36 110.41 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 798' ' ' ILE . 6.3 tp -64.02 -44.93 91.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.22 110.509 176.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.8 mm -60.07 -50.8 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.51 111.596 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -64.07 -36.68 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.194 -0.202 . . . . 2.69 110.903 -177.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.74 87.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.885 0.374 . . . . 0.27 110.288 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.438 HD13 HG21 ' A' ' 851' ' ' ILE . 85.7 mt -60.98 -46.21 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.67 110.524 175.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -62.5 -39.78 94.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.741 . . . . 1.21 112.062 -176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 p -69.21 -40.32 78.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 1.29 110.552 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -68.06 -57.48 6.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 1.95 112.022 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 1.56 110.186 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.483 ' O ' HG22 ' A' ' 816' ' ' ILE . 28.0 Cg_exo . . . . . 0 CA--C 1.512 -0.588 0 CA-C-O 120.866 0.277 . . . . 0.88 111.828 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.841 HG22 HG22 ' A' ' 814' ' ' THR . 48.3 mm 70.7 -67.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.796 -1.093 . . . . 1.67 109.394 -171.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.841 HG22 HG22 ' A' ' 813' ' ' ILE . 2.8 t 168.27 -46.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.275 -0.875 . . . . 1.9 109.755 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 814' ' ' THR . 24.5 mmmt -104.52 -44.05 5.0 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.495 . . . . 2.52 110.42 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 815' ' ' LYS . 1.4 pt 71.3 149.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 124.963 1.415 . . . . 1.06 110.855 -173.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 1.002 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 18.2 ttmm -127.47 145.81 50.71 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.226 -1.398 . . . . 1.35 107.226 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.1 p90 -126.81 146.55 50.22 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.226 0.536 . . . . 0.3 110.323 -170.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.01 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 8.5 tt0 -127.55 146.16 50.61 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.531 -1.213 . . . . 1.08 108.758 -173.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.577 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 2.8 p30 -125.77 146.33 49.82 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.418 -0.586 . . . . 1.73 109.418 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.7 tp10 -38.72 -40.01 0.56 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.722 -1.126 . . . . 3.38 113.249 -170.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.17 -31.81 65.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 5.63 111.392 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 113.81 47.95 0.6 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.571 -0.612 . . . . 1.39 111.571 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.577 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 33.6 t70 -128.58 147.9 50.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.687 -0.256 . . . . 1.47 110.903 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.59 126.13 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.644 0.735 . . . . 1.16 109.951 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 44.7 t -136.4 147.88 27.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.408 -1.269 . . . . 1.35 108.38 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.79 139.07 51.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 108.73 -0.841 . . . . 1.22 108.73 -175.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.545 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.8 pp -128.0 156.62 42.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.559 -0.746 . . . . 1.03 111.97 -166.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.73 -33.37 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 114.951 -1.022 . . . . 1.2 111.365 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -83.89 12.89 5.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.648 0.24 . . . . 1.93 111.648 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.69 -47.64 0.65 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.405 0.682 . . . . 1.79 111.705 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 836' ' ' VAL . 81.9 mt-10 -54.59 -36.87 64.88 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.898 0.479 . . . . 2.93 111.39 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -57.31 -44.01 83.76 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.472 0.654 . . . . 2.14 110.037 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 27.4 t-105 -65.14 -39.75 93.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.495 -0.775 . . . . 0.26 110.86 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.481 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.6 t30 -58.8 -41.39 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.094 -0.336 . . . . 2.0 110.094 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 832' ' ' GLU . 95.6 t -58.83 -45.67 91.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.516 -0.765 . . . . 1.36 110.426 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.674 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.1 -49.03 78.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.19 111.458 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 50.4 mtmt -55.0 -49.57 71.17 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.726 0.298 . . . . 1.22 111.037 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.13 -39.97 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.665 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.574 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.2 ttp -55.92 -55.36 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.494 . . . . 0.76 111.044 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 15.4 mt -55.57 -55.72 28.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.425 . . . . 0.62 110.768 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.88 62.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.661 -0.7 . . . . 0.61 112.681 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.1 -44.81 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.509 0.195 . . . . 2.92 111.379 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 50.7 m-20 -68.12 -57.63 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.889 -0.325 . . . . 1.53 110.612 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.646 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 8.1 p30 140.88 -26.31 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.899 1.375 . . . . 1.9 108.433 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 78.9 mt-10 -78.16 88.45 4.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.419 -1.264 . . . . 2.97 110.977 -171.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 13.0 ttmm -81.69 -5.88 58.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.642 -0.708 . . . . 2.4 110.567 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.7 t80 -67.06 126.31 28.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.073 -0.512 . . . . 0.54 110.478 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 819' ' ' GLN . 29.3 tp -128.1 141.27 51.54 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.56 110.521 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.01 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -129.02 147.01 50.85 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.075 -1.083 . . . . 0.96 108.075 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.523 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -125.9 125.33 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.293 0.568 . . . . 0.35 109.973 -173.563 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 1.002 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 7.3 tpt180 -90.47 132.66 35.53 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.85 -1.068 . . . . 2.38 111.138 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 779' ' ' GLU . 1.2 mm? -116.0 136.84 52.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.776 -1.194 . . . . 1.56 107.776 166.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.211 -0.9 . . . . 1.77 110.307 -166.561 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 109.274 -0.639 . . . . 3.25 109.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.0 tp -83.7 138.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 N-CA-C 109.468 -0.568 . . . . 0.75 109.468 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' A' ' 851' ' ' ILE . 17.5 t80 -127.3 145.39 50.81 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.893 -0.78 . . . . 0.52 108.893 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.2 m -126.65 129.76 49.12 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.695 -0.483 . . . . 1.39 109.695 -174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.7 tp -149.33 145.07 26.83 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.871 -1.058 . . . . 0.83 109.114 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.695 HD21 ' HD2' ' A' ' 847' ' ' LYS . 7.0 tt -128.59 113.64 15.69 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.743 -0.836 . . . . 1.53 108.743 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 22.6 m -63.29 105.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.306 -0.861 . . . . 1.1 111.088 -169.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.29 -41.97 72.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.108 -0.951 . . . . 3.06 111.603 -171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.634 ' HD2' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -140.04 50.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.961 0.41 . . . . 1.8 110.557 176.542 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.878 HG22 ' HD2' ' A' ' 838' ' ' LYS . 1.2 p 65.49 -41.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.565 1.546 . . . . 1.7 113.43 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.634 ' CD1' ' HD2' ' A' ' 787' ' ' LYS . 30.6 m0 66.79 126.66 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.47 0.652 . . . . 0.5 112.153 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -84.49 42.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.917 -0.583 . . . . 2.06 110.641 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 34.6 t80 72.28 -50.14 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.202 -0.908 . . . . 0.47 112.033 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.14 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 1.86 110.669 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -67.99 -40.05 83.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.912 -0.586 . . . . 1.36 110.415 176.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.7 tp -61.45 -41.75 97.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.602 -0.726 . . . . 0.22 110.355 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.15 -51.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.51 111.849 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -62.32 -36.39 82.03 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.955 -0.298 . . . . 2.69 110.375 -179.155 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.247 -0.433 . . . . 0.27 110.335 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 794' ' ' LEU . 68.0 mt -60.69 -51.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.67 110.781 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -55.8 -50.74 69.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.576 -0.738 . . . . 1.21 111.759 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 19.5 m -65.25 -45.56 84.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.29 111.413 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -68.13 -43.5 78.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.457 0.54 . . . . 1.95 112.457 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.333 -0.15 0 C-N-CA 120.876 -0.33 . . . . 1.56 110.619 -178.871 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.568 ' HB2' ' CG2' ' A' ' 816' ' ' ILE . 3.7 Cg_exo . . . . . 0 N--CA 1.462 -0.381 0 CA-C-O 121.074 0.364 . . . . 0.88 111.829 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 813' ' ' ILE . 11.6 mm 66.63 0.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.281 -0.872 . . . . 1.67 111.223 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.442 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 30.8 p 53.96 25.75 5.69 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.324 0.65 . . . . 1.9 110.491 -174.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 814' ' ' THR . 3.4 tppt? -144.18 40.95 1.37 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.022 -0.535 . . . . 2.52 110.431 -172.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 812' ' ' PRO . 33.4 pt -73.39 154.03 7.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.692 -0.685 . . . . 1.06 110.981 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 37.2 tttp -125.77 143.59 50.99 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 106.605 -1.628 . . . . 1.35 106.605 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 6.8 p90 -126.49 145.29 50.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.693 0.759 . . . . 0.3 110.27 -169.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.98 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.67 147.7 50.76 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.863 -1.517 . . . . 1.08 109.689 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.451 ' HB2' ' HE1' ' A' ' 840' ' ' MET . 5.3 t70 -123.79 143.6 50.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.92 -0.771 . . . . 1.73 108.92 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.3 tp10 -45.8 -35.76 4.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.531 -0.759 . . . . 3.38 112.485 -171.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.69 -39.87 68.56 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.133 0.492 . . . . 5.63 110.9 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 123.96 53.78 0.19 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.665 -0.698 . . . . 1.39 111.395 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.556 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 41.6 t0 -128.73 144.92 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.262 -0.175 . . . . 1.47 110.713 -176.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 5.7 m-85 -128.11 126.8 41.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.111 0.482 . . . . 1.16 110.304 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 58.7 t -147.07 148.91 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.993 -1.114 . . . . 1.35 107.993 -176.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.49 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 12.3 p -123.35 137.38 56.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.722 -0.844 . . . . 1.22 108.722 -174.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.34 153.61 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.217 0.821 . . . . 1.03 113.217 -164.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.87 38.64 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.585 -1.188 . . . . 1.2 111.791 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 9.8 m -156.19 29.18 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.633 0.235 . . . . 1.93 111.633 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 65.45 -59.92 0.27 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.566 0.95 . . . . 1.79 113.566 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 835' ' ' ASN . 13.2 tp10 -61.59 -32.6 72.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.909 0.385 . . . . 2.93 111.254 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.55 -42.51 95.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 2.14 111.033 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.538 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 27.4 t-105 -67.42 -38.27 84.33 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.486 -0.486 . . . . 0.26 109.843 172.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 59.0 m-20 -57.33 -48.53 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 2.0 111.225 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.66 -36.14 76.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.974 -0.29 . . . . 1.36 110.831 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.52 -45.48 93.69 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.681 -0.407 . . . . 0.19 110.447 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.878 ' HD2' HG22 ' A' ' 788' ' ' VAL . 48.2 mtmt -59.47 -45.19 92.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.297 . . . . 1.22 110.331 176.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 96.8 mt-10 -58.42 -46.89 85.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.021 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 820' ' ' ASP . 39.7 ttp -52.71 -51.29 61.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.55 -0.75 . . . . 0.76 110.606 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 50.3 mt -60.17 -52.84 63.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.866 -0.606 . . . . 0.62 111.394 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.73 85.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.229 0.455 . . . . 0.61 112.229 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.19 -52.9 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 2.92 111.165 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.6 m-80 -66.01 -34.81 78.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.914 -0.584 . . . . 1.53 110.83 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 98.0 -13.35 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.77 1.294 . . . . 1.9 109.888 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.22 141.07 49.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.97 109.577 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.695 ' HD2' HD21 ' A' ' 784' ' ' LEU . 20.3 ttmm -125.82 -13.03 6.47 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.029 0.442 . . . . 2.4 110.655 -170.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.599 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.5 t80 -66.23 124.83 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.497 -0.774 . . . . 0.54 110.286 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 819' ' ' GLN . 31.8 tp -128.51 140.85 51.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.785 -0.643 . . . . 0.56 109.407 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.98 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.1 m-80 -130.32 146.55 51.92 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.597 -0.89 . . . . 0.96 108.597 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.64 124.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.182 -0.673 . . . . 0.35 109.182 -175.185 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.654 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.3 ttt180 -99.91 116.37 31.81 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 115.773 -0.649 . . . . 2.38 109.97 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.73 57.26 2.49 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.661 -0.7 . . . . 1.56 109.89 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.392 -0.813 . . . . 1.77 111.114 -174.728 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 122.329 1.061 . . . . 3.25 108.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -177.67 133.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 112.871 -1.968 . . . . 0.75 109.239 -176.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 12.0 t80 -150.15 146.71 27.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.746 -1.205 . . . . 0.52 107.746 -172.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.7 t -126.27 130.37 50.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.412 0.625 . . . . 1.39 110.497 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.8 tp -150.08 147.08 27.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.346 -1.297 . . . . 0.83 108.903 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.5 tt -126.45 115.69 19.97 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.417 -0.586 . . . . 1.53 109.417 -174.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.644 HG11 ' HH2' ' A' ' 834' ' ' TRP . 16.5 m -71.94 135.91 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.126 -0.943 . . . . 1.1 110.981 -174.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -121.89 -78.83 0.6 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.569 -0.453 . . . . 3.06 111.247 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 44.45 0.68 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.147 0.425 . . . . 1.8 112.147 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.7 t 43.47 63.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 123.629 0.58 . . . . 1.7 111.309 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 34.2 m0 -51.16 131.29 27.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.115 -0.948 . . . . 0.5 112.333 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.74 42.08 0.83 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.201 0.524 . . . . 2.06 110.718 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.511 ' HD1' HD23 ' A' ' 794' ' ' LEU . 16.1 t80 71.76 -47.67 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.019 0.928 . . . . 0.47 111.47 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 796' ' ' MET . 38.4 t70 -57.58 -45.29 85.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.769 0.319 . . . . 1.86 110.416 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 18.2 m-20 -61.51 -47.52 85.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.708 -0.678 . . . . 1.36 110.321 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.5 tp -57.46 -48.92 77.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.711 -1.131 . . . . 0.22 110.703 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 795' ' ' ILE . 33.7 mm -64.08 -36.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.693 0.257 . . . . 0.51 111.693 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.5 mtp -58.09 -48.43 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.203 -0.295 . . . . 2.69 110.203 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.6 98.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.27 110.782 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 794' ' ' LEU . 36.3 mm -54.26 -57.53 5.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.747 -0.661 . . . . 0.67 110.895 177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -65.3 -43.54 90.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.424 -0.807 . . . . 1.21 112.218 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 68.8 m -60.48 -44.98 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 1.29 111.131 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -68.91 -40.35 79.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.084 -0.385 . . . . 1.95 111.85 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 798' ' ' ILE . 78.8 mt . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 111.914 0.339 . . . . 1.56 111.914 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 121.011 0.338 . . . . 0.88 111.62 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 813' ' ' ILE . 32.5 mm 60.72 24.29 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.788 0.804 . . . . 1.67 109.624 -177.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.483 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 43.2 p 50.53 25.81 2.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.978 -1.01 . . . . 1.9 111.43 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 814' ' ' THR . 0.0 OUTLIER -128.89 116.1 18.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.67 -0.696 . . . . 2.52 109.963 -176.401 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 827' ' ' VAL . 5.7 pt -149.62 143.27 17.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.597 0.713 . . . . 1.06 111.127 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.84 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.4 mtpt -127.43 146.52 50.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.892 -1.049 . . . . 1.35 108.661 175.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.7 p90 -126.66 145.29 50.63 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.348 0.594 . . . . 0.3 110.326 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.983 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 14.0 tt0 -128.62 146.0 50.98 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.586 -1.188 . . . . 1.08 110.136 -172.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -124.9 138.79 54.23 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.914 -0.402 . . . . 1.73 109.914 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 53.78 24.89 4.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.376 -1.284 . . . . 3.38 112.042 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.517 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 23.6 t70 50.12 47.02 24.12 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.669 0.606 . . . . 5.63 110.941 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.57 -29.37 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.879 -1.153 . . . . 1.39 113.703 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 43.3 t0 -128.0 146.16 50.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.061 0.43 . . . . 1.47 110.213 -177.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.695 ' HD2' ' HE2' ' A' ' 817' ' ' LYS . 0.2 OUTLIER -125.25 132.96 52.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.543 0.687 . . . . 1.16 110.564 -176.782 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.08 149.17 14.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 113.696 -1.593 . . . . 1.35 108.464 -172.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.84 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.6 p -123.03 142.6 39.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.342 -0.849 . . . . 1.22 110.553 -168.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -128.65 157.91 40.0 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.201 -0.908 . . . . 1.03 110.541 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.31 -27.21 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.613 -0.804 . . . . 1.2 112.692 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 62.2 m -87.79 20.4 3.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.564 -0.374 . . . . 1.93 111.336 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 21.8 t70 69.76 -53.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.669 0.788 . . . . 1.79 112.675 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 836' ' ' VAL . 48.7 tp10 -53.6 -37.95 63.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.924 0.392 . . . . 2.93 111.235 -177.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -52.98 -40.9 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 2.14 110.78 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.644 ' HH2' HG11 ' A' ' 785' ' ' VAL . 29.1 t-105 -64.53 -44.39 91.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.26 111.212 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.473 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 36.9 t30 -61.59 -36.65 81.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.697 -0.483 . . . . 2.0 109.697 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 832' ' ' GLU . 57.3 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 1.36 110.567 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.564 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.82 -46.84 88.97 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.669 -0.241 . . . . 0.19 110.978 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.499 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 48.6 mtmt -56.66 -50.66 71.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.58 0.229 . . . . 1.22 111.091 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.33 -40.11 93.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.173 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 40.3 ttp -54.39 -56.79 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.705 -0.68 . . . . 0.76 110.551 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 13.0 mt -61.31 -58.17 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.62 111.593 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.59 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.491 -0.777 . . . . 0.61 112.503 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.73 -53.24 23.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.907 -0.317 . . . . 2.92 111.522 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 73.5 m-20 -69.47 -58.31 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.359 -0.536 . . . . 1.53 112.344 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 3.8 p30 164.99 -29.81 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.287 0.367 . . . . 1.9 110.927 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' ' 844' ' ' ASN . 45.8 mp0 -60.23 168.82 1.83 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.736 -0.665 . . . . 2.97 112.301 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -162.78 -31.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 2.4 110.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -65.35 124.83 23.28 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.018 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.0 tp -128.55 143.79 51.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.317 0.58 . . . . 0.56 110.334 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.983 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 29.3 m120 -128.96 145.4 51.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.635 -0.711 . . . . 0.96 109.142 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.75 130.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.003 -0.369 . . . . 0.35 110.003 -171.425 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.603 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 58.4 ttt180 -107.45 132.78 52.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.41 -0.516 . . . . 2.38 111.127 175.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.79 140.74 34.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.481 -1.303 . . . . 1.56 107.481 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 22.7 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.46 -0.781 . . . . 1.77 110.605 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 39.6 mt-10 . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.158 -0.682 . . . . 3.25 109.158 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -106.8 130.62 58.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.509 0.671 . . . . 0.75 110.253 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.694 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.9 t80 -128.65 146.42 50.87 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.012 -0.994 . . . . 0.52 108.878 -177.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 65.2 m -126.79 126.3 43.16 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.179 0.514 . . . . 1.39 109.967 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 784' ' ' LEU . 33.9 tp -150.21 145.84 26.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.563 -1.199 . . . . 0.83 109.213 -170.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.801 HD23 ' HE3' ' A' ' 847' ' ' LYS . 8.0 mp -128.16 129.52 46.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.232 -0.655 . . . . 1.53 109.232 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -63.93 122.0 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.627 -0.715 . . . . 1.1 111.355 -171.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.02 -45.87 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.727 -1.124 . . . . 3.06 111.606 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -140.64 53.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.42 . . . . 1.8 110.476 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 78.5 t 72.1 -52.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.393 -0.821 . . . . 1.7 111.631 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 49.8 m0 68.66 115.21 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.67 0.606 . . . . 0.5 111.879 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -80.28 41.14 0.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.763 -0.653 . . . . 2.06 111.359 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.6 t80 70.73 -48.59 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.86 0.864 . . . . 0.47 111.29 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.586 ' O ' ' HG3' ' A' ' 796' ' ' MET . 50.3 m-20 -61.45 -43.93 98.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.725 -0.216 . . . . 1.86 110.489 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.43 -46.49 89.83 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.317 0.58 . . . . 1.36 110.697 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.2 tp -59.02 -48.08 82.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.855 -1.066 . . . . 0.22 110.669 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 798' ' ' ILE . 21.7 mm -66.56 -36.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 111.813 0.301 . . . . 0.51 111.813 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 91.7 mtp -57.78 -45.51 85.9 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.944 -0.391 . . . . 2.69 109.944 176.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.29 94.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.749 -0.659 . . . . 0.27 110.337 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 802' ' ' ILE . 20.4 mm -53.93 -53.93 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.458 -0.792 . . . . 0.67 111.225 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -63.95 -44.92 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 1.21 111.446 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.5 t -64.31 -52.75 56.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.278 -0.419 . . . . 1.29 111.135 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.97 -48.73 62.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.43 0.53 . . . . 1.95 112.43 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.702 HD13 HD21 ' A' ' 853' ' ' LEU . 75.6 mt . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.69 0.281 . . . . 1.56 111.039 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 813' ' ' ILE . 2.6 Cg_endo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.273 -0.318 . . . . 0.88 111.273 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.807 HG23 ' HG2' ' A' ' 815' ' ' LYS . 3.0 tp 66.57 -1.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.301 1.04 . . . . 1.67 112.34 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 43.8 p 64.3 -15.18 0.08 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.859 1.264 . . . . 1.9 113.019 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.807 ' HG2' HG23 ' A' ' 813' ' ' ILE . 1.4 mmpt? -84.51 45.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.69 -0.485 . . . . 2.52 109.69 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 828' ' ' LEU . 38.6 pt -76.86 148.6 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.671 0.748 . . . . 1.06 110.897 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 31.9 ttmt -127.35 141.77 51.61 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.859 -1.163 . . . . 1.35 107.859 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.701 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.9 p90 -127.99 146.24 50.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.185 0.516 . . . . 0.3 109.949 -172.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.75 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -128.03 145.85 50.86 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.943 -1.026 . . . . 1.08 110.66 -172.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.588 ' HB2' ' HE3' ' A' ' 840' ' ' MET . 19.7 t0 -125.75 140.71 52.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.874 -0.603 . . . . 1.73 109.672 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 821' ' ' GLU . 23.9 tt0 61.06 12.39 3.96 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.235 -0.893 . . . . 3.38 111.228 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.404 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.0 t70 56.75 52.54 9.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 5.63 109.989 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -165.1 -17.5 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.156 -1.021 . . . . 1.39 114.617 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 22.3 t70 -127.54 145.97 50.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.559 0.679 . . . . 1.47 109.981 -178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.69 133.07 52.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.493 0.664 . . . . 1.16 111.426 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.682 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 32.4 t -138.56 148.81 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.831 -1.077 . . . . 1.35 108.838 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.806 HG22 ' HG3' ' A' ' 817' ' ' LYS . 45.7 t -122.68 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 108.83 -0.804 . . . . 1.22 108.83 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.701 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -130.77 148.13 52.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.565 -0.743 . . . . 1.03 111.36 -172.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -139.44 -42.02 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.487 -1.445 . . . . 1.2 109.487 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 44.5 t -82.56 141.04 32.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.787 -0.82 . . . . 1.93 108.787 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -63.77 -9.99 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.212 0.449 . . . . 1.79 112.212 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -62.23 -47.37 84.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 2.93 111.172 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.17 -36.81 83.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.204 0.526 . . . . 2.14 109.828 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 36.0 t-105 -64.77 -40.15 94.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.26 110.429 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 21.6 t30 -58.37 -43.91 88.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.628 -0.508 . . . . 2.0 109.628 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.48 -44.88 85.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.211 -0.904 . . . . 1.36 110.69 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.55 -43.11 99.46 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.354 -0.384 . . . . 0.19 111.625 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -58.52 -49.06 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.799 0.333 . . . . 1.22 110.237 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 45.4 mt-10 -61.44 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.865 -0.607 . . . . 2.22 110.171 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.588 ' HE3' ' HB2' ' A' ' 820' ' ' ASP . 50.8 ttp -57.24 -53.48 57.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.504 -0.771 . . . . 0.76 111.273 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.992 ' HG ' ' HA ' ' A' ' 847' ' ' LYS . 3.5 mp -59.34 -50.52 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.204 -0.453 . . . . 0.62 111.552 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.05 -50.33 64.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.61 111.931 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.73 -50.83 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 2.92 111.173 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 69.4 m-80 -67.95 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.142 -0.481 . . . . 1.53 111.454 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.59 -3.83 0.15 Allowed 'General case' 0 N--CA 1.483 1.207 0 O-C-N 124.666 1.229 . . . . 1.9 111.223 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 848' ' ' PHE . 3.0 mm-40 -60.55 -57.22 13.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.872 -0.331 . . . . 2.97 110.674 -175.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.992 ' HA ' ' HG ' ' A' ' 841' ' ' LEU . 37.9 ttpt 67.93 -24.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.182 0.808 . . . . 2.4 113.182 172.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 846' ' ' GLU . 5.4 t80 -62.71 124.78 21.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.312 -0.625 . . . . 0.54 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 0.4 OUTLIER -127.8 138.32 52.69 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.619 0.724 . . . . 0.56 109.624 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.75 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 21.9 m120 -128.06 145.64 50.93 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.02 -1.104 . . . . 0.96 108.02 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.694 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.59 124.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 109.292 -0.633 . . . . 0.35 109.292 -170.78 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.855 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 60.0 ttt180 -110.23 123.46 49.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.927 -0.579 . . . . 2.38 111.222 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 802' ' ' ILE . 2.2 mm? -101.05 122.99 44.53 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.407 -1.331 . . . . 1.56 107.407 169.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.447 -0.787 . . . . 1.77 110.486 -172.81 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.071 -0.344 . . . . 3.25 110.071 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -74.3 137.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.529 0.68 . . . . 0.75 110.068 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.572 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -127.64 144.32 51.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.243 -1.021 . . . . 0.52 108.243 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.4 t -126.85 131.98 51.08 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.253 -0.647 . . . . 1.39 109.253 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 784' ' ' LEU . 15.2 tp -150.1 146.42 26.91 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.607 -1.178 . . . . 0.83 109.397 -166.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 783' ' ' LEU . 9.1 mp -126.49 119.58 27.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.418 -0.586 . . . . 1.53 109.418 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.569 HG11 ' HH2' ' A' ' 834' ' ' TRP . 27.5 m -70.37 61.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.615 -1.175 . . . . 1.1 113.545 -168.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 68.4 mm-40 -60.27 146.28 44.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.309 -0.859 . . . . 3.06 110.871 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 786' ' ' GLU . 34.2 pttt 62.05 2.4 0.79 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.166 0.986 . . . . 1.8 112.846 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 60.2 t 60.55 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.612 0.72 . . . . 1.7 111.423 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 15.8 m0 -70.38 135.1 48.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.259 -0.882 . . . . 0.5 111.344 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 790' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 40.5 t30 -68.44 -43.07 77.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.355 -0.538 . . . . 2.06 110.523 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 170.05 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.479 -1.237 . . . . 0.47 110.056 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -62.06 -36.29 81.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.764 -0.458 . . . . 1.86 109.764 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.5 OUTLIER -61.11 -42.22 98.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.303 0.573 . . . . 1.36 110.19 176.286 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.501 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 0.9 OUTLIER -65.89 -44.28 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 0.22 110.04 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.74 -42.72 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.51 110.767 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 0.3 OUTLIER -61.04 -42.93 99.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.531 -0.304 . . . . 2.69 111.431 177.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.88 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.27 110.241 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.8 -50.74 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.513 -0.767 . . . . 0.67 110.755 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -59.59 -42.54 92.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.686 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.2 p -68.36 -49.51 59.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.412 -0.358 . . . . 1.29 111.053 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -69.49 -53.78 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.087 0.402 . . . . 1.95 112.087 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.56 110.267 178.663 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.416 ' O ' ' HB ' ' A' ' 813' ' ' ILE . 3.8 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 N-CA-C 111.413 -0.264 . . . . 0.88 111.413 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 814' ' ' THR . 46.9 mm 71.47 -82.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 1.67 109.364 -172.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 813' ' ' ILE . 0.7 OUTLIER 160.0 -47.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.431 1.492 . . . . 1.9 109.049 171.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 0.8 OUTLIER -78.88 60.17 2.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.59 -0.732 . . . . 2.52 110.492 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.509 HD11 HD11 ' A' ' 828' ' ' LEU . 26.1 pt -65.17 144.52 14.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.517 0.675 . . . . 1.06 110.711 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.888 ' HE3' ' HB3' ' A' ' 825' ' ' PHE . 40.3 tttp -126.45 137.74 53.44 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 107.222 -1.399 . . . . 1.35 107.222 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.777 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.1 p90 -126.55 145.65 50.44 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.298 0.57 . . . . 0.3 110.301 -171.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.032 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.3 tt0 -128.84 142.61 50.91 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 113.893 -1.503 . . . . 1.08 109.426 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -126.55 137.94 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.022 0.439 . . . . 1.73 111.449 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.533 ' HB2' ' HG2' ' A' ' 846' ' ' GLU . 16.3 tp10 45.47 37.42 3.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.837 -1.529 . . . . 3.38 111.447 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.504 ' HA ' ' OE1' ' A' ' 819' ' ' GLN . 33.2 t0 50.54 52.26 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.173 -0.921 . . . . 5.63 111.61 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -154.95 -38.06 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 119.324 -1.417 . . . . 1.39 115.068 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 27.5 t70 -127.88 148.54 50.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.788 0.794 . . . . 1.47 111.69 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.888 ' HB3' ' HE3' ' A' ' 817' ' ' LYS . 13.7 m-85 -124.09 136.5 54.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.57 0.7 . . . . 1.16 111.218 -172.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 42.6 t -145.6 149.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.368 -1.287 . . . . 1.35 108.93 -175.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.574 HG22 ' HG3' ' A' ' 817' ' ' LYS . 79.6 t -122.76 128.86 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.957 -0.757 . . . . 1.22 108.957 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.777 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.4 pp -128.63 150.51 50.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.706 -0.679 . . . . 1.03 111.033 -171.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -160.21 35.12 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.521 -1.432 . . . . 1.2 109.521 174.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.1 m -160.33 141.64 12.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.87 -1.165 . . . . 1.93 107.918 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -51.27 -40.3 58.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.989 -0.55 . . . . 1.79 112.348 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.64 -45.1 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.472 0.545 . . . . 2.93 112.472 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 828' ' ' LEU . 12.7 t0 -63.64 -37.81 88.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.185 0.517 . . . . 2.14 110.355 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.569 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.5 t-105 -67.54 -43.26 81.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.96 -0.563 . . . . 0.26 109.807 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.86 -46.93 84.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 2.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.06 -36.24 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 121.164 -0.214 . . . . 1.36 110.694 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.27 -46.38 88.68 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.414 -0.217 . . . . 0.19 110.414 176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 23.2 mtmm -58.76 -46.88 86.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 121.032 -0.267 . . . . 1.22 110.506 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.59 -43.83 84.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.094 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -55.41 -52.4 63.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.76 110.731 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.23 -57.79 10.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 0.62 111.465 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.38 80.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.758 0.651 . . . . 0.61 112.758 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.25 -46.72 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.647 -0.251 . . . . 2.92 111.558 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.3 m-80 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.569 -0.452 . . . . 1.53 111.677 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.561 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 14.3 p30 156.4 -27.69 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.758 -0.83 . . . . 1.9 108.758 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 7.8 mt-10 -63.68 157.78 23.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.752 -1.567 . . . . 2.97 113.0 -171.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -147.9 -28.81 0.33 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.559 -0.746 . . . . 2.4 110.065 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.89 124.04 16.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.131 -0.486 . . . . 0.54 110.017 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 819' ' ' GLN . 33.4 tp -129.23 139.69 51.75 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.282 -0.636 . . . . 0.56 109.282 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.032 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 33.7 m120 -128.77 146.7 50.83 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.521 -0.918 . . . . 0.96 108.521 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.572 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.7 OUTLIER -126.1 124.22 65.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 108.97 -0.752 . . . . 0.35 108.97 -175.34 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 69.4 ttt180 -103.35 115.48 30.62 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.835 -0.62 . . . . 2.38 109.716 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.0 mm? -95.62 61.68 2.29 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.938 -0.764 . . . . 1.56 108.938 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.276 -0.869 . . . . 1.77 111.137 -172.557 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.248 -0.649 . . . . 3.25 109.248 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 850' ' ' ASN . 2.4 mm -81.04 138.42 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.681 0.753 . . . . 0.75 110.47 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.7 t80 -126.87 145.45 50.65 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.415 -1.698 . . . . 0.52 106.415 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 24.4 m -125.87 131.15 52.43 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.794 -0.762 . . . . 1.39 110.446 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.414 HD22 HG12 ' A' ' 798' ' ' ILE . 44.2 tp -150.42 146.87 26.94 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.486 -1.234 . . . . 0.83 109.502 -171.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.39 120.26 29.37 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.171 -0.677 . . . . 1.53 109.171 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.625 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.0 t -65.75 101.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.616 -1.175 . . . . 1.1 111.157 -170.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.1 -46.75 64.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.841 -1.072 . . . . 3.06 112.507 -170.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 20.8 pttp -141.51 49.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.592 -0.443 . . . . 1.8 111.592 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 838' ' ' LYS . 53.8 t 70.04 -55.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.996 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.625 ' CE3' HG13 ' A' ' 785' ' ' VAL . 43.9 m0 71.09 137.0 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.568 0.699 . . . . 0.5 112.128 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -91.16 36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.941 -0.572 . . . . 2.06 109.847 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.603 ' HD1' HD23 ' A' ' 794' ' ' LEU . 17.5 t80 71.18 -47.09 0.65 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.751 0.82 . . . . 0.47 111.095 -176.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 796' ' ' MET . 44.3 m-20 -60.12 -41.09 91.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 1.86 110.337 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 789' ' ' TRP . 2.5 m-20 -63.75 -43.4 96.54 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.487 0.661 . . . . 1.36 109.848 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.603 HD23 ' HD1' ' A' ' 791' ' ' PHE . 7.3 tp -61.11 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.22 110.165 178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.608 HG23 ' HD3' ' A' ' 812' ' ' PRO . 23.3 mm -57.25 -48.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.51 111.01 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 23.0 mmt -64.03 -43.18 96.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 2.69 111.213 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.19 82.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.578 -0.283 . . . . 0.27 110.393 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.595 ' O ' HG13 ' A' ' 802' ' ' ILE . 76.5 mt -59.93 -51.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.67 110.469 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -56.0 -51.33 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.058 -0.519 . . . . 1.21 112.101 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.9 t -63.48 -44.71 93.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.457 . . . . 1.29 110.396 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -68.16 -37.03 80.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.61 . . . . 1.95 111.715 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 798' ' ' ILE . 31.7 mt . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 120.586 0.232 . . . . 1.56 110.406 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 795' ' ' ILE . 9.7 Cg_exo . . . . . 0 CA--C 1.52 -0.217 0 N-CA-C 112.49 0.15 . . . . 0.88 112.49 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 816' ' ' ILE . 50.3 mm 68.59 108.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 O-C-N 123.974 0.796 . . . . 1.67 109.574 -175.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -17.49 63.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.244 -0.434 . . . . 1.9 111.553 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 46.86 1.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.024 -0.535 . . . . 2.52 110.187 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 813' ' ' ILE . 1.4 pt -87.36 153.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.452 0.644 . . . . 1.06 110.311 177.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 57.1 mttt -127.53 147.0 50.33 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.898 -1.046 . . . . 1.35 108.807 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 2.8 p90 -125.29 143.52 50.92 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.604 0.716 . . . . 0.3 109.486 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.004 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 13.1 tt0 -128.54 147.31 50.69 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 113.547 -1.661 . . . . 1.08 109.081 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -124.46 145.77 49.32 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.843 -0.799 . . . . 1.73 108.843 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 44.2 tt0 -42.09 -34.71 0.77 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.103 0.877 . . . . 3.38 112.505 -172.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.72 -35.42 63.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.24 0.543 . . . . 5.63 110.997 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 111.46 54.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.625 -0.99 . . . . 1.39 110.625 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 29.2 t70 -128.11 145.71 50.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.278 . . . . 1.47 110.478 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.462 ' HE1' ' HB2' ' A' ' 852' ' ' ARG . 2.7 m-85 -126.4 129.96 49.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.248 0.547 . . . . 1.16 110.504 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.633 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 52.6 t -145.27 148.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 114.928 -1.033 . . . . 1.35 108.613 -177.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.484 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 8.2 p -123.22 127.87 74.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.678 -0.86 . . . . 1.22 108.678 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.8 pp -128.6 164.12 23.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.008 -0.996 . . . . 1.03 112.277 -166.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 175.39 39.53 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.217 -0.901 . . . . 1.2 112.325 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 33.9 t -143.71 -84.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.966 -0.294 . . . . 1.93 110.947 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 26.5 t0 179.9 -49.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.733 -0.469 . . . . 1.79 109.733 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.19 -37.47 77.47 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.685 -0.689 . . . . 2.93 111.338 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 836' ' ' VAL . 1.3 p30 -61.21 -46.16 91.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.441 -0.799 . . . . 2.14 110.686 176.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.614 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.1 t-105 -65.54 -41.07 93.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.623 . . . . 0.26 110.244 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.467 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 26.5 t-20 -56.39 -48.06 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 2.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 833' ' ' ASP . 32.8 m -65.08 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.677 -0.409 . . . . 1.36 111.002 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -46.18 90.69 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.768 -0.373 . . . . 0.19 110.48 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.671 ' HD2' HG13 ' A' ' 788' ' ' VAL . 51.4 mtmt -59.57 -45.96 90.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 1.22 111.069 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -57.83 -47.32 83.0 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.898 -0.408 . . . . 2.22 109.898 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 39.3 ttp -51.15 -57.27 9.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.76 111.188 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.01 -57.38 13.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.62 111.839 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.63 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.711 0.634 . . . . 0.61 112.711 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.96 -48.87 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.074 -0.25 . . . . 2.92 110.721 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.696 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 44.1 m-20 -69.1 -58.24 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.461 -0.496 . . . . 1.53 111.03 -177.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.696 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 2.9 p30 153.12 -29.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.907 0.883 . . . . 1.9 109.989 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -66.5 163.63 18.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.469 0.652 . . . . 2.97 112.416 -170.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.571 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 75.8 tttt -146.59 -11.88 0.46 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.275 -0.875 . . . . 2.4 110.55 -175.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 6.5 t80 -67.31 123.89 21.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.052 -0.351 . . . . 0.54 110.052 178.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 819' ' ' GLN . 20.4 tp -129.61 139.95 51.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.565 -0.743 . . . . 0.56 109.57 178.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.004 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.5 m-80 -128.36 146.36 50.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.384 -0.969 . . . . 0.96 108.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.616 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -126.59 124.12 64.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 109.41 -0.589 . . . . 0.35 109.41 -174.379 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -99.17 119.49 37.95 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 120.75 -0.38 . . . . 2.38 110.915 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.6 mm? -93.21 140.67 29.28 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.082 -1.451 . . . . 1.56 107.082 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.542 ' HD2' ' HD3' ' A' ' 852' ' ' ARG . 23.4 p90 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.996 -0.526 . . . . 1.77 110.648 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 122.383 1.087 . . . . 3.25 110.604 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.453 HD13 ' H ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER 171.73 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 CA-C-N 112.863 -1.971 . . . . 0.75 108.779 -177.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.573 ' HD2' HG13 ' A' ' 851' ' ' ILE . 13.1 t80 -149.28 145.62 27.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.092 -1.447 . . . . 0.52 107.092 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 86.2 m -126.39 127.19 45.08 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.215 0.531 . . . . 1.39 109.97 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.93 146.56 27.13 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.033 -1.44 . . . . 0.83 109.683 -166.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.4 mp -126.76 121.38 31.81 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.676 -0.861 . . . . 1.53 108.676 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.829 HG23 ' CE3' ' A' ' 789' ' ' TRP . 4.5 p -67.14 112.27 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.735 -0.666 . . . . 1.1 110.44 -172.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.41 -49.33 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.878 -1.056 . . . . 3.06 112.392 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 788' ' ' VAL . 0.0 OUTLIER -126.71 45.13 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.93 -0.308 . . . . 1.8 110.934 -177.352 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER 71.39 -41.73 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 123.886 0.874 . . . . 1.7 112.556 177.279 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.829 ' CE3' HG23 ' A' ' 785' ' ' VAL . 53.5 m0 61.02 115.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.311 0.856 . . . . 0.5 113.311 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -84.25 44.94 1.06 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.511 -0.768 . . . . 2.06 110.483 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.484 ' HB2' ' HD1' ' A' ' 834' ' ' TRP . 46.8 t80 68.77 -54.22 0.55 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.164 0.986 . . . . 0.47 112.365 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.28 -37.53 75.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.453 0.644 . . . . 1.86 109.702 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -64.48 -46.44 82.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.744 -1.117 . . . . 1.36 110.205 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 798' ' ' ILE . 3.4 tp -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.976 -1.011 . . . . 0.22 110.331 177.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.58 -53.52 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.51 111.758 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -62.43 -36.26 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.135 -0.226 . . . . 2.69 110.651 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.31 90.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.377 -0.374 . . . . 0.27 110.274 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 794' ' ' LEU . 69.9 mt -59.98 -49.11 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.743 -0.662 . . . . 0.67 110.748 175.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -57.61 -48.28 79.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 1.21 111.45 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 33.6 m -68.2 -43.87 77.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.24 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 44.8 tttm -68.26 -47.37 67.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.95 111.541 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.237 0.402 0 CA-C-O 121.595 0.712 . . . . 1.56 110.312 177.548 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 814' ' ' THR . 4.0 Cg_exo . . . . . 0 N--CA 1.459 -0.504 0 CA-C-O 120.721 0.217 . . . . 0.88 111.971 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 815' ' ' LYS . 17.1 mm 73.07 -18.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.515 0.726 . . . . 1.67 111.611 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 13.3 p 71.8 -17.99 0.32 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.654 1.181 . . . . 1.9 110.75 -173.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.781 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -84.84 44.13 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 2.52 111.038 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 23.7 pt -80.66 142.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.252 1.025 . . . . 1.06 111.657 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.723 ' HG3' HG22 ' A' ' 827' ' ' VAL . 39.3 ttmt -126.62 143.37 51.24 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.702 -1.59 . . . . 1.35 106.767 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 4.6 p90 -126.28 145.3 50.47 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.714 0.769 . . . . 0.3 110.166 -172.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.954 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.31 147.71 50.63 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.76 -1.564 . . . . 1.08 108.663 -173.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -123.95 145.33 49.23 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.427 -0.583 . . . . 1.73 109.427 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.802 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.0 tp10 -44.84 -35.74 2.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.65 -1.159 . . . . 3.38 111.783 -172.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -53.21 -48.59 68.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.729 -0.669 . . . . 5.63 110.262 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 131.85 54.21 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.893 -0.67 . . . . 1.39 111.986 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.606 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 32.9 t70 -141.94 148.11 38.12 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.712 -0.395 . . . . 1.47 111.7 -171.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 9.3 m-85 -124.04 127.7 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.729 0.776 . . . . 1.16 110.268 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.648 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 38.4 t -138.27 149.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 114.153 -1.385 . . . . 1.35 108.748 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.723 HG22 ' HG3' ' A' ' 817' ' ' LYS . 46.2 t -122.51 134.08 66.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.653 -0.869 . . . . 1.22 108.653 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.9 pp -128.29 150.36 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.357 0.598 . . . . 1.03 112.071 -169.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 170.63 40.08 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.829 -1.078 . . . . 1.2 111.209 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 12.1 t -167.96 37.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.415 0.15 . . . . 1.93 110.793 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 65.87 -61.04 0.28 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.549 0.944 . . . . 1.79 113.549 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 836' ' ' VAL . 6.2 mp0 -57.11 -43.46 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.523 0.564 . . . . 2.93 112.523 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.3 OUTLIER -57.9 -49.63 76.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.126 0.489 . . . . 2.14 110.592 -176.226 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.535 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 9.5 t-105 -63.94 -39.76 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.26 110.413 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.35 -45.25 76.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.623 -0.262 . . . . 2.0 110.763 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 832' ' ' GLU . 92.4 t -58.92 -46.26 91.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.094 -0.503 . . . . 1.36 110.965 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.13 -48.2 82.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.453 -0.34 . . . . 0.19 110.99 177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 15.6 mtpp -56.69 -49.62 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.636 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.26 -41.16 88.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.075 0.464 . . . . 2.22 110.28 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.92 -54.8 42.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.653 -0.703 . . . . 0.76 110.807 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 17.8 mt -58.88 -58.43 8.66 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.62 111.486 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.76 73.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.273 -0.876 . . . . 0.61 112.53 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.27 -48.8 64.07 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.951 0.352 . . . . 2.92 111.951 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.538 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.5 m-20 -68.68 -58.49 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.53 111.664 -174.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 17.1 p30 148.85 -25.95 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.532 1.133 . . . . 1.9 108.321 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.56 147.78 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.03 -1.441 . . . . 2.97 111.494 -174.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -144.4 -24.2 0.53 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.217 -0.447 . . . . 2.4 110.961 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.802 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.5 t80 -62.27 124.14 20.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.825 0.345 . . . . 0.54 110.238 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 819' ' ' GLN . 15.8 tp -132.37 140.62 48.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.56 109.614 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.954 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -128.56 145.33 51.16 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.487 -0.931 . . . . 0.96 108.487 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.1 mm -127.39 124.29 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 0.35 110.104 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 46.1 ttt85 -106.25 125.99 51.67 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 116.382 -0.372 . . . . 2.38 110.245 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.06 -9.04 16.31 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.791 -0.364 . . . . 1.56 110.223 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.437 -1.256 . . . . 1.77 112.914 173.384 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.372 -0.603 . . . . 3.25 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -86.28 136.68 22.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 109.233 -0.654 . . . . 0.75 109.233 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HE2' ' HA ' ' A' ' 798' ' ' ILE . 18.5 t80 -127.25 144.66 51.0 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.485 -0.932 . . . . 0.52 108.485 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 850' ' ' ASN . 56.5 p -127.16 130.1 49.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.133 0.492 . . . . 1.39 109.878 -171.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.2 tp -149.61 145.66 26.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.339 -0.846 . . . . 0.83 109.445 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.82 122.13 31.9 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.809 -0.812 . . . . 1.53 108.809 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.461 ' HA ' ' CH2' ' A' ' 789' ' ' TRP . 2.8 m -68.29 123.82 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 1.1 110.183 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.49 -37.22 85.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 3.06 111.51 -172.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.87 ' HD2' ' H ' ' A' ' 788' ' ' VAL . 0.0 OUTLIER -152.31 -55.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 1.8 111.589 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.87 ' H ' ' HD2' ' A' ' 787' ' ' LYS . 48.9 t -149.06 -66.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.83 -0.168 . . . . 1.7 110.77 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 788' ' ' VAL . 51.5 m0 74.52 127.97 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.749 0.656 . . . . 0.5 110.886 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 790' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 39.3 t30 -70.27 -45.81 65.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.637 0.732 . . . . 2.06 110.126 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 160.74 -43.56 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.066 -1.879 . . . . 0.47 108.245 177.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.44 -41.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.369 -0.832 . . . . 1.86 109.496 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.65 -46.53 84.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.997 -1.001 . . . . 1.36 109.983 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 798' ' ' ILE . 5.6 tp -64.25 -46.56 83.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.414 -1.266 . . . . 0.22 111.128 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.77 -44.05 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.601 -0.272 . . . . 0.51 111.292 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.6 mmt -63.66 -41.97 98.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.475 -0.329 . . . . 2.69 111.329 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.3 93.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.962 0.41 . . . . 0.27 110.121 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.499 ' HA ' ' HE2' ' A' ' 781' ' ' PHE . 68.8 mt -57.35 -52.79 52.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.401 -0.818 . . . . 0.67 110.62 175.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -61.64 -37.09 82.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 1.21 111.854 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 36.4 t -58.67 -52.03 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.869 0.366 . . . . 1.29 110.582 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 68.3 mttm -68.99 -39.0 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.459 -0.337 . . . . 1.95 111.851 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 798' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 121.025 -0.27 . . . . 1.56 110.891 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.2 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 CA-C-O 120.688 0.203 . . . . 0.88 111.705 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 815' ' ' LYS . 27.0 mm 68.87 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.438 0.695 . . . . 1.67 111.252 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 812' ' ' PRO . 82.5 p 67.11 -33.29 0.21 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.503 1.521 . . . . 1.9 112.534 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER -79.37 54.22 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.843 0.354 . . . . 2.52 110.711 175.725 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.628 HD11 HD11 ' A' ' 828' ' ' LEU . 42.3 pt -76.55 143.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.06 111.393 -177.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 27.0 ttpt -127.23 141.27 51.77 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.773 -1.195 . . . . 1.35 107.773 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.671 ' HD2' HD11 ' A' ' 849' ' ' LEU . 20.5 p90 -127.69 146.61 50.51 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.669 0.747 . . . . 0.3 111.466 -167.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.999 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.9 tt0 -127.58 145.63 50.8 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.625 -1.171 . . . . 1.08 109.867 -176.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.3 p30 -126.04 140.47 52.57 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.09 -0.505 . . . . 1.73 109.683 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 43.2 mt-10 59.5 24.15 12.83 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.451 -0.795 . . . . 3.38 110.736 -175.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 2.8 p30 41.9 41.86 2.04 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.327 -0.851 . . . . 5.63 112.452 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -137.53 -30.52 0.25 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.102 -1.047 . . . . 1.39 114.297 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -127.68 146.64 50.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.555 0.677 . . . . 1.47 110.792 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.54 131.88 53.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.465 0.65 . . . . 1.16 110.846 -172.069 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.15 148.56 15.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.139 -1.391 . . . . 1.35 108.775 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.626 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.5 p -122.77 142.76 38.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.263 -0.898 . . . . 1.22 110.75 -168.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.763 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 3.7 pp -128.07 149.21 50.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.314 -0.857 . . . . 1.03 111.497 -168.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.91 35.15 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.718 -0.753 . . . . 1.2 112.533 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.3 p -157.97 36.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.563 0.221 . . . . 1.93 111.369 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 67.37 -59.88 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.487 0.921 . . . . 1.79 113.487 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.02 -29.51 68.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.637 0.256 . . . . 2.93 111.596 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.763 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 6.0 m-20 -57.66 -43.07 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 2.14 110.065 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 17.8 t-105 -68.16 -40.3 82.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.26 110.585 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 838' ' ' LYS . 92.0 m-20 -57.98 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 2.0 110.886 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.1 -36.73 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.283 -0.417 . . . . 1.36 111.142 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.27 -49.01 79.32 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.005 -0.278 . . . . 0.19 111.376 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 31.5 mtmm -58.69 -51.46 69.83 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.8 0.333 . . . . 1.22 110.712 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.56 87.6 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.703 -0.68 . . . . 2.22 110.57 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 41.0 ttp -54.37 -50.35 67.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.76 111.087 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 34.9 mt -59.39 -57.62 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.971 0.415 . . . . 0.62 111.087 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.07 81.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.763 -0.653 . . . . 0.61 112.411 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.83 -47.53 74.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.524 -0.307 . . . . 2.92 111.245 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 47.7 m-20 -68.53 -58.3 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 119.5 -0.286 . . . . 1.53 111.393 -176.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 15.8 p30 161.76 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.757 0.661 . . . . 1.9 111.086 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.696 ' HG3' ' H ' ' A' ' 847' ' ' LYS . 5.9 tp10 -82.59 -158.65 0.27 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.286 0.565 . . . . 2.97 111.662 -169.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.696 ' H ' ' HG3' ' A' ' 846' ' ' GLU . 0.1 OUTLIER -176.06 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.406 -0.816 . . . . 2.4 108.816 -178.661 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -55.48 131.9 47.16 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.343 -0.844 . . . . 0.54 111.143 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.671 HD11 ' HD2' ' A' ' 818' ' ' TYR . 14.6 tp -128.49 145.23 51.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.422 -0.808 . . . . 0.56 110.084 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.999 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.5 m-80 -128.37 145.54 51.04 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.281 -1.007 . . . . 0.96 108.281 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -127.61 130.32 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 C-N-CA 120.749 -0.38 . . . . 0.35 110.121 -174.407 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -107.95 129.68 55.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.149 -0.478 . . . . 2.38 109.893 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 853' ' ' LEU . 2.2 mm? -96.05 133.43 40.3 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.386 -0.968 . . . . 1.56 108.386 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 11.5 p90 . . . . . 0 C--O 1.244 0.781 0 CA-C-O 118.163 -0.923 . . . . 1.77 110.068 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.092 -0.336 . . . . 3.25 110.092 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -97.92 138.49 22.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.365 0.602 . . . . 0.75 110.636 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.556 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.8 t80 -128.32 145.71 50.98 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.069 -1.085 . . . . 0.52 108.069 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.734 HG22 ' ND2' ' A' ' 850' ' ' ASN . 12.8 p -126.56 126.39 43.58 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.794 -0.447 . . . . 1.39 109.794 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 19.7 tp -150.1 146.21 26.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.224 -0.898 . . . . 0.83 109.115 -171.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.5 122.5 35.36 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.251 -0.579 . . . . 1.53 109.684 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 841' ' ' LEU . 22.3 m -70.81 69.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 1.1 111.617 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -50.09 -50.44 48.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.077 -0.965 . . . . 3.06 110.689 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -113.17 149.41 33.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.329 -0.989 . . . . 1.8 108.329 171.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.41 88.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.296 0.57 . . . . 1.7 110.756 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.611 ' CE3' HG12 ' A' ' 785' ' ' VAL . 26.5 m0 -65.3 135.93 55.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.149 -0.932 . . . . 0.5 111.944 -174.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -82.76 42.75 0.8 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 2.06 110.532 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 30.5 t80 67.47 -50.8 0.5 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.219 1.008 . . . . 0.47 112.418 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -60.17 -42.03 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.947 0.403 . . . . 1.86 110.419 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 2.9 m-20 -62.28 -41.96 98.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.644 0.735 . . . . 1.36 110.147 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 798' ' ' ILE . 7.8 tp -63.11 -44.67 95.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.577 -1.192 . . . . 0.22 110.454 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.0 mm -59.34 -45.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.51 111.129 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 85.1 mtp -59.8 -43.91 94.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.393 -0.367 . . . . 2.69 111.024 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.47 97.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.899 0.381 . . . . 0.27 110.758 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.496 ' HA ' ' CE2' ' A' ' 781' ' ' PHE . 81.2 mt -59.15 -52.3 62.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.653 -0.703 . . . . 0.67 110.574 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -58.31 -49.3 77.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.581 -0.736 . . . . 1.21 111.926 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.0 p -62.26 -47.87 82.42 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.196 0.443 . . . . 1.29 112.196 -176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.27 -41.82 80.48 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.05 0.389 . . . . 1.95 112.05 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 111.855 0.317 . . . . 1.56 111.855 -176.159 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.46 -0.447 0 N-CA-C 110.798 -0.501 . . . . 0.88 110.798 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.771 HG22 HG22 ' A' ' 814' ' ' THR . 47.1 mm 72.53 -61.61 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 114.0 -1.455 . . . . 1.67 109.008 -169.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.771 HG22 HG22 ' A' ' 813' ' ' ILE . 4.0 t 159.34 -33.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.383 -1.28 . . . . 1.9 107.584 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.712 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.4 mmpt? -79.81 127.22 31.96 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.202 -1.363 . . . . 2.52 111.053 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.5 150.16 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.867 0.841 . . . . 1.06 111.452 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 1.103 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.1 mttp -127.72 147.07 50.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.215 -1.357 . . . . 1.35 108.465 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 828' ' ' LEU . 6.2 p90 -126.91 144.67 50.93 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.334 0.588 . . . . 0.3 109.979 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.94 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.2 tt0 -128.66 145.85 51.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.313 -0.858 . . . . 1.08 110.035 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.62 139.1 53.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.114 -0.493 . . . . 1.73 110.186 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 62.63 16.92 9.26 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.061 0.851 . . . . 3.38 110.396 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 28.1 t70 50.59 47.51 24.13 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.15 -0.932 . . . . 5.63 110.953 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -150.77 -29.72 0.05 OUTLIER Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.219 -0.991 . . . . 1.39 113.804 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -127.38 146.9 50.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.325 0.562 . . . . 1.47 109.988 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -124.67 130.5 52.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.793 0.806 . . . . 1.16 111.199 -171.085 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.01 150.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.112 -1.404 . . . . 1.35 108.138 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.989 HG22 ' HG2' ' A' ' 817' ' ' LYS . 21.5 t -122.9 129.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.387 -0.597 . . . . 1.22 109.387 -170.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.767 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.91 151.47 49.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.46 0.648 . . . . 1.03 111.471 -173.743 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -163.41 -35.96 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.025 0 CA-C-N 114.953 -1.021 . . . . 1.2 111.22 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.5 t -75.48 -77.35 0.13 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.74 -0.23 . . . . 1.93 110.66 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -178.41 -51.12 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.818 0.342 . . . . 1.79 110.608 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.688 ' HA ' HD22 ' A' ' 835' ' ' ASN . 23.7 pt-20 -53.91 -39.73 66.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.722 0.638 . . . . 2.93 112.722 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.4 OUTLIER -59.55 -38.7 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.327 0.584 . . . . 2.14 110.387 -175.329 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.645 ' HH2' HG11 ' A' ' 785' ' ' VAL . 39.7 t-105 -68.25 -39.06 82.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.517 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.688 HD22 ' HA ' ' A' ' 832' ' ' GLU . 79.4 m-20 -61.29 -47.8 84.33 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.649 -0.251 . . . . 2.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 833' ' ' ASP . 10.5 m -62.4 -36.38 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 1.36 110.232 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.36 -51.99 67.55 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 121.245 -0.182 . . . . 0.19 111.426 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.513 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 32.6 mtmm -57.11 -47.63 80.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.593 -0.276 . . . . 1.22 110.666 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.15 -48.69 78.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.342 0.592 . . . . 2.22 110.2 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.623 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 37.7 ttp -52.83 -52.93 55.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.803 -1.09 . . . . 0.76 111.392 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 785' ' ' VAL . 20.2 mt -58.21 -54.69 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.395 -0.366 . . . . 0.62 111.205 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.81 93.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.151 0.426 . . . . 0.61 112.151 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.36 -47.41 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 2.92 110.833 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 25.6 m-80 -62.66 -35.25 79.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 1.53 111.271 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.537 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 97.38 -7.55 0.06 Allowed 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.787 1.304 . . . . 1.9 109.7 -176.109 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -77.55 162.0 27.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.37 -0.832 . . . . 2.97 110.774 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.46 ' HG3' HG23 ' A' ' 785' ' ' VAL . 36.2 ttpt -151.6 3.47 0.41 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.899 -0.591 . . . . 2.4 110.147 -177.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.29 124.82 28.52 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.618 -0.512 . . . . 0.54 109.618 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 19.1 tp -128.58 143.84 51.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.547 0.689 . . . . 0.56 109.941 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.94 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 33.0 m120 -128.43 145.34 51.12 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.028 -1.101 . . . . 0.96 108.028 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.43 130.65 70.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.283 -0.636 . . . . 0.35 109.283 -174.316 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 1.103 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 1.9 ttm180 -100.39 136.31 40.47 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 120.453 -0.499 . . . . 2.38 111.361 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 852' ' ' ARG . 2.0 mm? -111.19 136.08 50.79 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.904 -1.044 . . . . 1.56 108.829 167.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.66 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 48.4 p90 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.944 -1.027 . . . . 1.77 109.397 -170.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 853' ' ' LEU . 17.4 pm0 . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.088 0.47 . . . . 3.25 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.866 HD11 ' HB3' ' A' ' 850' ' ' ASN . 9.0 tp -95.13 140.82 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.192 -0.913 . . . . 0.75 110.403 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.521 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.2 t80 -127.28 145.39 50.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.057 -0.974 . . . . 0.52 108.643 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.8 t -126.75 129.19 47.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.124 0.488 . . . . 1.39 110.153 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 849' ' ' LEU . 21.8 tp -150.52 146.41 26.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.24 -1.346 . . . . 0.83 109.61 -169.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.43 123.7 38.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 1.53 109.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.6 m -68.66 133.98 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.933 -1.031 . . . . 1.1 112.011 -169.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -85.94 -126.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.447 -0.797 . . . . 3.06 111.258 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -71.26 51.91 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.448 -0.796 . . . . 1.8 112.529 -177.146 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 25.6 t 60.99 80.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.481 0.657 . . . . 1.7 110.862 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.426 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 38.9 m0 -63.01 129.82 42.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.318 -0.855 . . . . 0.5 111.546 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.52 43.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.538 -0.301 . . . . 2.06 110.805 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 35.8 t80 69.83 -53.17 0.62 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.853 0.861 . . . . 0.47 111.766 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.11 -41.18 97.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.302 . . . . 1.86 110.36 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.13 -43.66 95.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.523 0.678 . . . . 1.36 110.004 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.3 tp -64.49 -45.68 86.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.576 -1.193 . . . . 0.22 110.642 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.428 HD13 HD12 ' A' ' 798' ' ' ILE . 26.5 mm -64.52 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.56 -0.291 . . . . 0.51 111.18 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.12 -44.91 94.54 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.741 0.305 . . . . 2.69 110.76 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.09 91.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.27 110.256 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.623 ' O ' HG12 ' A' ' 802' ' ' ILE . 76.7 mt -58.95 -52.88 55.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.414 -0.812 . . . . 0.67 110.748 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.4 -45.23 65.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.997 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 32.9 t -65.48 -50.46 65.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.962 0.41 . . . . 1.29 110.851 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -67.95 -36.36 79.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.247 0.832 . . . . 1.95 113.247 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 798' ' ' ILE . 31.6 mm . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.986 0.365 . . . . 1.56 111.986 -174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 110.396 -0.656 . . . . 0.88 110.396 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' A' ' 814' ' ' THR . 50.5 mm 70.3 -74.42 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 114.183 -1.371 . . . . 1.67 108.992 -169.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 813' ' ' ILE . 9.1 t 149.69 -24.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.884 1.274 . . . . 1.9 108.209 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.584 ' HB3' ' OH ' ' A' ' 854' ' ' TYR . 0.0 OUTLIER -66.74 -54.48 22.46 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 114.636 -1.165 . . . . 2.52 111.34 -177.024 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.7 pt 47.03 133.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.017 1.858 . . . . 1.06 116.017 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.886 ' HG2' HG22 ' A' ' 827' ' ' VAL . 82.4 mttt -127.61 147.03 50.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.035 -1.893 . . . . 1.35 108.548 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.585 ' HB2' HD11 ' A' ' 849' ' ' LEU . 3.0 p90 -126.2 144.99 50.56 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.351 -0.611 . . . . 0.3 109.351 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.811 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.6 tt0 -128.12 145.45 51.01 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.94 -1.027 . . . . 1.08 109.675 -174.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 11.7 p-10 -125.74 136.87 53.65 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-N 116.023 -0.535 . . . . 1.73 110.084 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 56.96 23.96 8.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.388 -1.278 . . . . 3.38 111.271 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.493 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.3 t0 48.8 58.64 5.09 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.681 -0.69 . . . . 5.63 110.758 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -164.01 -29.4 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.912 -1.137 . . . . 1.39 113.737 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 7.3 t70 -127.41 145.86 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.569 -0.53 . . . . 1.47 109.569 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.8 OUTLIER -125.79 136.82 53.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.943 0.877 . . . . 1.16 111.599 -172.085 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 50.9 t -140.2 150.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 113.925 -1.489 . . . . 1.35 108.26 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.886 HG22 ' HG2' ' A' ' 817' ' ' LYS . 15.8 t -121.98 132.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.28 -1.008 . . . . 1.22 108.28 -171.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.1 pp -128.45 151.33 49.51 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.765 -0.774 . . . . 1.03 112.742 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 172.54 26.6 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.796 -1.093 . . . . 1.2 112.219 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -143.16 19.75 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.893 0.346 . . . . 1.93 110.881 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.8 t70 70.79 -52.67 0.67 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.509 0.724 . . . . 1.79 112.155 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.14 -42.08 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.49 . . . . 2.93 111.177 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -58.15 -48.22 80.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.253 -0.885 . . . . 2.14 111.067 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.543 ' HH2' HG11 ' A' ' 785' ' ' VAL . 20.3 t-105 -65.35 -37.62 87.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.277 -0.42 . . . . 0.26 110.478 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 22.0 t30 -59.76 -50.51 73.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.544 -0.298 . . . . 2.0 110.966 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.6 m -62.79 -36.53 75.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.908 -0.317 . . . . 1.36 110.706 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.634 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.91 -48.31 82.4 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 121.006 -0.278 . . . . 0.19 110.973 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 30.8 mtmm -56.9 -48.49 78.08 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.535 0.207 . . . . 1.22 111.023 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 51.0 mt-10 -59.57 -44.16 93.38 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.152 0.501 . . . . 2.22 110.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.55 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 34.9 ttp -56.94 -56.4 22.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.194 -0.912 . . . . 0.76 111.192 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.2 mt -54.94 -51.9 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.62 110.984 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.42 46.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.556 0.576 . . . . 0.61 112.556 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 2.92 111.29 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 45.4 m-20 -68.21 -35.27 77.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.036 -0.529 . . . . 1.53 110.889 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.37 -14.17 0.14 Allowed 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.348 1.03 . . . . 1.9 109.572 -173.449 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.51 64.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.334 -0.848 . . . . 2.97 110.98 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 29.8 ttpt -81.84 30.07 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.491 -0.322 . . . . 2.4 111.77 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -91.06 125.42 35.84 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.934 -0.765 . . . . 0.54 108.934 173.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 818' ' ' TYR . 33.0 tp -128.0 138.91 52.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.707 0.765 . . . . 0.56 110.552 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.866 ' HB3' HD11 ' A' ' 780' ' ' ILE . 34.6 m120 -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.949 -1.023 . . . . 0.96 108.916 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.521 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -127.15 124.84 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.644 -0.502 . . . . 0.35 109.644 -174.781 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.6 ttm180 -104.23 134.79 46.86 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.719 -0.474 . . . . 2.38 109.719 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.441 ' HB2' ' OE2' ' A' ' 779' ' ' GLU . 5.5 mp -100.56 -26.54 13.8 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.732 -0.387 . . . . 1.56 110.855 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.651 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 6.6 p90 . . . . . 0 C--O 1.252 1.188 0 O-C-N 124.355 1.034 . . . . 1.77 112.815 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 2.3 pm0 . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 120.798 0.333 . . . . 3.25 110.202 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -92.42 138.07 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.638 0.732 . . . . 0.75 110.659 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.51 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.5 t80 -128.61 146.73 50.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.215 -1.031 . . . . 0.52 108.215 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.541 HG22 ' OD1' ' A' ' 850' ' ' ASN . 80.5 p -125.33 129.25 49.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.009 -0.737 . . . . 1.39 109.009 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 41.9 tp -149.72 146.48 27.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.497 -1.228 . . . . 0.83 109.461 -169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.68 119.46 27.02 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.849 -0.797 . . . . 1.53 108.849 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.726 HG13 ' CE3' ' A' ' 789' ' ' TRP . 20.9 t -62.19 -35.76 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.252 -1.34 . . . . 1.1 111.623 -168.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 847' ' ' LYS . 16.5 tp10 69.39 -59.47 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.229 0.612 . . . . 3.06 111.746 175.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.85 139.59 39.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.787 -0.82 . . . . 1.8 108.787 175.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 1.002 HG23 ' HD2' ' A' ' 838' ' ' LYS . 1.4 p -46.74 108.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.608 -0.724 . . . . 1.7 112.41 -174.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.726 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.1 m0 -82.9 142.81 31.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.268 -0.878 . . . . 0.5 110.302 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -84.8 47.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.395 . . . . 2.06 110.292 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 53.9 t80 65.11 -55.04 0.31 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.222 1.009 . . . . 0.47 113.033 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.27 -38.02 85.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.167 0.508 . . . . 1.86 110.185 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 30.5 m-20 -62.58 -42.42 99.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 1.36 109.591 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 834' ' ' TRP . 8.7 tp -62.49 -45.83 91.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.469 -1.241 . . . . 0.22 110.414 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.54 -48.13 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.51 111.062 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 83.0 mtp -59.53 -45.01 93.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 -0.263 . . . . 2.69 111.161 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.2 87.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.27 110.383 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 802' ' ' ILE . 69.2 mt -59.66 -50.73 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.908 -0.587 . . . . 0.67 110.937 176.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -52.21 -52.77 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 1.21 111.82 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.1 m -68.76 -50.85 47.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.557 . . . . 1.29 111.869 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 1.95 113.154 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.8 mt . . . . . 0 N--CA 1.468 0.467 0 C-N-CA 120.76 -0.376 . . . . 1.56 110.622 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.62 ' HB2' HG22 ' A' ' 816' ' ' ILE . 3.4 Cg_exo . . . . . 0 CA--C 1.511 -0.643 0 N-CA-C 110.749 -0.52 . . . . 0.88 110.749 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 814' ' ' THR . 1.6 mp 72.1 -67.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 113.251 -1.795 . . . . 1.67 107.939 -167.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 813' ' ' ILE . 4.1 t 158.27 -30.57 0.0 OUTLIER 'General case' 0 C--O 1.231 0.088 0 CA-C-N 114.915 -1.039 . . . . 1.9 108.267 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.755 ' HA ' ' HE3' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -66.61 -64.21 0.9 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.429 -1.26 . . . . 2.52 112.23 -173.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.62 HG22 ' HB2' ' A' ' 812' ' ' PRO . 18.6 pt 53.83 131.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.404 1.482 . . . . 1.06 113.973 -174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.733 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 77.1 tttt -127.7 145.38 50.91 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.01 -1.45 . . . . 1.35 108.291 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.703 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 5.7 p90 -126.96 145.9 50.52 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.475 0.655 . . . . 0.3 110.427 -174.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.038 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 3.7 tt0 -127.96 147.34 50.48 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.486 -1.234 . . . . 1.08 108.942 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 819' ' ' GLN . 0.0 OUTLIER -124.61 145.67 49.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.708 -0.479 . . . . 1.73 109.708 -172.604 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 846' ' ' GLU . 6.4 tp10 -41.93 -36.47 1.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.263 -1.335 . . . . 3.38 112.561 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.417 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 34.7 t70 -56.08 -33.08 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.058 0.456 . . . . 5.63 111.245 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 112.78 58.04 0.43 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.898 -0.668 . . . . 1.39 111.531 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 6.9 t70 -147.18 147.07 30.13 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.203 -0.199 . . . . 1.47 110.768 -172.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.733 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 1.8 m-85 -124.44 128.86 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.484 0.659 . . . . 1.16 110.165 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 82.4 t -142.9 148.85 19.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.362 -1.29 . . . . 1.35 108.612 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.2 p -122.64 131.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.537 -0.912 . . . . 1.22 108.537 -174.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.61 149.58 50.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.394 -0.821 . . . . 1.03 113.176 -163.445 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.59 -26.13 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.224 -1.353 . . . . 1.2 112.104 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 20.5 m -72.73 -7.66 51.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.448 0.536 . . . . 1.93 112.448 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.1 t0 64.42 49.37 2.49 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.556 1.169 . . . . 1.79 109.589 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.68 -46.02 0.06 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.838 -1.528 . . . . 2.93 107.133 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 828' ' ' LEU . 1.0 OUTLIER -56.77 -46.17 81.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.95 -1.932 . . . . 2.14 110.602 166.383 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.597 ' HB2' HD23 ' A' ' 828' ' ' LEU . 20.3 t-105 -66.41 -41.19 89.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.151 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.562 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 46.5 t30 -57.32 -49.66 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 2.0 111.322 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.34 -36.43 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.333 . . . . 1.36 110.426 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.703 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.26 -49.86 75.62 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.015 -0.274 . . . . 0.19 111.116 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 1.002 ' HD2' HG23 ' A' ' 788' ' ' VAL . 9.3 mtmp? -56.1 -49.39 73.97 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.821 0.343 . . . . 1.22 110.751 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 6.0 mm-40 -63.03 -39.72 95.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.736 -0.665 . . . . 2.22 110.312 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.558 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 44.8 ttp -56.47 -52.4 64.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.363 -0.835 . . . . 0.76 110.886 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 6.7 mt -58.67 -48.63 80.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 0.62 110.662 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.12 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.61 112.155 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.97 -50.13 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.289 0.566 . . . . 2.92 110.205 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.737 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 54.1 m-80 -67.94 -35.82 79.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.537 -0.756 . . . . 1.53 111.955 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.71 -12.73 0.17 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.574 1.149 . . . . 1.9 109.792 -173.607 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 14.0 mt-10 -74.96 73.71 2.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 2.97 110.34 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 786' ' ' GLU . 38.9 ttpt -74.29 0.23 14.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.968 -1.015 . . . . 2.4 111.762 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.4 t80 -68.39 125.32 26.07 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.086 -0.339 . . . . 0.54 110.086 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.3 tp -128.65 142.61 50.97 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.69 0.757 . . . . 0.56 109.943 177.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.038 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.8 m-80 -128.52 146.56 50.79 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.088 -1.079 . . . . 0.96 108.088 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.19 124.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 109.119 -0.697 . . . . 0.35 109.119 -174.464 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.427 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.8 ttm180 -110.9 129.48 55.86 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 120.54 -0.464 . . . . 2.38 110.703 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 1.7 mm? -100.98 134.62 43.7 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.391 -1.337 . . . . 1.56 107.391 170.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.721 -0.656 . . . . 1.77 109.815 -174.615 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.976 -0.379 . . . . 3.25 109.976 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' A' ' 850' ' ' ASN . 5.8 tp -106.07 136.54 40.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.75 110.191 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.511 ' HD2' HG13 ' A' ' 851' ' ' ILE . 11.8 t80 -129.05 146.38 51.03 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.671 -0.863 . . . . 0.52 108.671 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.514 HG22 ' OD1' ' A' ' 850' ' ' ASN . 21.5 p -125.92 133.67 51.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.882 0.372 . . . . 1.39 110.022 -174.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 1.06 HD11 ' HZ3' ' A' ' 789' ' ' TRP . 2.7 tm? -150.02 145.9 26.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.697 -1.138 . . . . 0.83 109.769 -167.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.533 ' H ' HD22 ' A' ' 783' ' ' LEU . 7.4 tt -128.23 121.54 29.61 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.499 -0.926 . . . . 1.53 108.499 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 35.1 m -71.12 119.1 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 1.1 110.984 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.48 -48.6 16.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.348 -0.842 . . . . 3.06 111.986 -171.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 52.5 pttt -145.45 55.7 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.399 -0.364 . . . . 1.8 111.238 -173.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 53.4 t 70.98 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.541 -0.754 . . . . 1.7 111.582 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 1.06 ' HZ3' HD11 ' A' ' 783' ' ' LEU . 42.8 m0 69.98 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.337 0.655 . . . . 0.5 112.08 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -78.9 38.87 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.536 -0.756 . . . . 2.06 111.299 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.461 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.1 t80 71.39 -48.72 0.68 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.68 0.792 . . . . 0.47 111.759 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 795' ' ' ILE . 38.3 m-20 -62.11 -40.52 96.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.86 110.34 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.87 -37.84 88.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.14 0.495 . . . . 1.36 110.379 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.477 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 4.4 tp -66.48 -49.45 66.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.467 -0.788 . . . . 0.22 110.704 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 792' ' ' ASP . 9.2 tp -64.9 -36.71 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.626 -0.261 . . . . 0.51 110.98 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 91.6 mmm -64.34 -42.98 95.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.419 -0.355 . . . . 2.69 110.409 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.12 97.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.27 110.542 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 794' ' ' LEU . 83.9 mt -58.8 -53.51 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.67 110.752 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -62.83 -36.44 83.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 1.21 111.372 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -47.41 83.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.955 0.407 . . . . 1.29 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.67 -43.93 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.95 111.664 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.56 110.778 178.564 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.401 ' C ' ' H ' ' A' ' 814' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.797 0 CA-C-O 120.619 0.174 . . . . 0.88 111.967 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 42.6 mm 74.19 -18.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.044 0.537 . . . . 1.67 112.001 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 812' ' ' PRO . 25.4 p 72.8 -37.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.016 1.326 . . . . 1.9 111.196 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.481 ' N ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -78.54 50.08 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.539 -0.3 . . . . 2.52 110.54 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 828' ' ' LEU . 42.8 pt -63.73 148.74 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.414 0.626 . . . . 1.06 111.196 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.859 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 28.8 tttp -126.14 142.65 51.43 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.966 -1.494 . . . . 1.35 106.966 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.676 ' CD2' HD23 ' A' ' 828' ' ' LEU . 7.6 p90 -127.04 146.3 50.41 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.335 0.588 . . . . 0.3 110.657 -170.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.112 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 12.0 tt0 -127.95 148.32 50.51 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.405 -1.271 . . . . 1.08 109.336 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -122.46 145.27 48.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.605 -168.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.615 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 82.7 tt0 -41.34 -45.82 3.13 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.052 1.341 . . . . 3.38 113.671 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -61.96 -37.83 86.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.917 0.389 . . . . 5.63 110.769 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 129.02 59.14 0.1 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.737 . . . . 1.39 112.286 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 26.2 t70 -134.64 146.46 49.56 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.182 -0.207 . . . . 1.47 110.653 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.31 127.93 46.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 1.16 110.062 -176.345 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.542 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 58.5 t -144.13 148.89 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.811 -1.086 . . . . 1.35 108.909 -173.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.746 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 13.6 p -123.9 135.79 62.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.449 -0.575 . . . . 1.22 109.449 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.676 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.6 pp -128.39 145.25 51.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.231 -0.895 . . . . 1.03 111.77 -167.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -177.67 32.56 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.213 -0.903 . . . . 1.2 111.756 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.9 m -153.19 26.62 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.591 0.234 . . . . 1.93 110.874 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.25 -45.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.864 1.266 . . . . 1.79 113.773 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.49 -36.76 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.348 0.594 . . . . 2.93 111.066 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -66.12 -44.36 84.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.215 -0.902 . . . . 2.14 111.531 179.087 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.546 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 27.4 t-105 -66.21 -38.16 87.3 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.527 -0.469 . . . . 0.26 109.827 174.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 24.5 t-20 -54.61 -51.77 64.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.813 -0.631 . . . . 2.0 110.684 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 833' ' ' ASP . 25.0 m -64.58 -36.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.473 -0.33 . . . . 1.36 111.391 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.692 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.41 -48.37 82.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.234 -0.587 . . . . 0.19 110.594 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.546 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 9.0 mtmp? -55.93 -54.23 47.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.65 0.262 . . . . 1.22 111.648 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 29.3 mm-40 -59.68 -40.58 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 2.22 110.014 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 36.4 ttp -57.58 -50.1 74.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.041 -0.981 . . . . 0.76 110.839 175.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 62.8 mt -61.06 -51.74 67.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.62 111.233 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.83 89.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 0.61 111.848 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.28 -54.86 14.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 2.92 111.24 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.0 m-80 -68.0 -35.8 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 1.53 112.396 -176.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.35 -6.23 0.14 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.305 1.042 . . . . 1.9 109.68 -174.355 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.615 ' HG3' ' HB3' ' A' ' 821' ' ' GLU . 30.5 tt0 -65.36 122.34 16.92 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.267 -1.012 . . . . 2.97 108.267 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -143.7 6.2 1.41 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.535 -0.866 . . . . 2.4 111.705 -169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 22.0 t80 -77.37 125.21 28.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.38 -0.97 . . . . 0.54 108.38 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.9 tp -128.07 140.66 51.82 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.656 0.741 . . . . 0.56 109.901 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.112 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.4 m-80 -128.77 147.58 50.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.777 -1.101 . . . . 0.96 108.155 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.12 124.35 67.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.929 -0.767 . . . . 0.35 108.929 -176.469 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.859 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 80.0 ttt180 -99.88 134.4 42.83 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.36 -0.836 . . . . 2.38 110.463 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 852' ' ' ARG . 18.3 mt -117.37 138.37 51.84 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.654 -1.239 . . . . 1.56 107.654 167.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.162 -0.923 . . . . 1.77 110.443 -165.158 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 18.7 pt-20 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.787 -0.449 . . . . 3.25 109.787 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.3 tp -86.73 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.232 0.539 . . . . 0.75 110.14 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.468 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -128.01 145.43 50.98 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.824 -0.806 . . . . 0.52 108.824 -176.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.2 m -127.71 128.28 45.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 1.39 110.68 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 783' ' ' LEU . 8.0 tp -150.58 146.9 26.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.053 -0.976 . . . . 0.83 108.738 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.602 ' HG ' ' HA ' ' A' ' 848' ' ' PHE . 7.5 mp -125.8 122.49 36.31 Favored 'General case' 0 C--N 1.315 -0.907 0 O-C-N 121.626 -0.671 . . . . 1.53 109.708 -177.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.684 HG13 ' CE3' ' A' ' 789' ' ' TRP . 1.7 t -70.75 83.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.128 -1.397 . . . . 1.1 111.634 -168.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.67 -59.46 3.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 3.06 111.885 -175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -104.44 32.12 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.425 -0.352 . . . . 1.8 111.916 -171.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.5 t 47.89 70.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.392 0.615 . . . . 1.7 111.513 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.684 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.0 m0 -55.77 139.54 44.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.343 -0.844 . . . . 0.5 112.517 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -90.41 45.91 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.583 -0.525 . . . . 2.06 109.583 173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 45.6 t80 70.06 -50.49 0.64 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.169 -0.923 . . . . 0.47 111.891 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.27 -41.3 96.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.97 0.414 . . . . 1.86 110.109 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.9 OUTLIER -65.44 -40.6 93.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.684 -0.689 . . . . 1.36 109.655 177.218 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.6 tp -63.69 -45.81 88.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.817 -1.083 . . . . 0.22 110.33 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.65 -45.25 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.51 110.852 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 3.9 mmt -56.9 -45.36 82.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.379 -0.373 . . . . 2.69 111.384 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.55 92.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.27 110.291 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 794' ' ' LEU . 75.6 mt -59.31 -51.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.987 -0.551 . . . . 0.67 111.099 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -54.54 -53.15 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 1.21 111.621 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 11.5 p -67.32 -41.93 84.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.936 -0.575 . . . . 1.29 111.455 -177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 801' ' ' LYS . 12.6 tppt? -67.92 -44.94 75.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.334 -0.394 . . . . 1.95 111.064 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 116.492 -0.322 . . . . 1.56 110.666 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.8 Cg_exo . . . . . 0 N--CA 1.464 -0.212 0 N-CA-C 111.483 -0.237 . . . . 0.88 111.483 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 815' ' ' LYS . 32.2 mm 75.75 -26.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.532 -0.758 . . . . 1.67 110.919 -174.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 814' ' ' THR . . . . . 0.451 ' H ' ' C ' ' A' ' 812' ' ' PRO . 23.8 p 73.89 -29.68 0.2 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 1.9 110.168 -170.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 813' ' ' ILE . 3.6 mmpp? -82.24 53.79 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.719 -0.673 . . . . 2.52 110.566 173.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 24.5 pt -81.23 145.71 8.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.753 0.787 . . . . 1.06 110.656 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.775 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 73.0 tttt -126.7 144.85 50.8 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.203 -1.406 . . . . 1.35 107.203 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.2 p90 -126.87 145.76 50.54 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.717 0.77 . . . . 0.3 110.41 -171.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.928 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 37.2 tt0 -130.3 145.75 51.81 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.017 -1.447 . . . . 1.08 109.339 -173.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -125.78 136.87 53.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.388 -0.369 . . . . 1.73 110.118 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.6 tp10 54.58 23.91 5.01 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.719 -1.128 . . . . 3.38 111.472 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 30.0 t70 51.73 45.9 27.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.959 -0.564 . . . . 5.63 110.746 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.66 -34.55 0.08 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.062 -1.066 . . . . 1.39 113.9 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 819' ' ' GLN . 26.3 t0 -128.25 147.79 50.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.956 0.378 . . . . 1.47 110.704 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.775 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 16.5 m-85 -124.39 134.92 52.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.926 0.87 . . . . 1.16 111.489 -171.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 46.1 t -142.47 147.47 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.129 -1.396 . . . . 1.35 108.314 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.9 p -124.79 135.24 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 118.651 0.66 . . . . 1.22 110.396 -175.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 834' ' ' TRP . 4.3 pp -129.5 176.55 7.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 1.03 111.499 -172.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.61 -37.52 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.515 -0.766 . . . . 1.2 112.094 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -86.82 -84.68 0.17 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.642 0.238 . . . . 1.93 111.642 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -167.16 -48.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.842 0.353 . . . . 1.79 110.902 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -50.15 -49.13 53.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.609 -0.723 . . . . 2.93 112.887 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 828' ' ' LEU . 1.3 t0 -61.24 -36.74 80.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.381 0.61 . . . . 2.14 110.575 -177.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.612 ' HB2' HD22 ' A' ' 828' ' ' LEU . 23.8 t-105 -68.41 -41.13 80.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.802 -0.635 . . . . 0.26 110.567 174.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 48.1 m-20 -55.03 -53.5 55.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.367 -0.379 . . . . 2.0 110.437 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.66 -36.27 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.976 -0.556 . . . . 1.36 111.103 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.24 -52.31 65.83 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.98 -0.288 . . . . 0.19 110.587 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 8.6 mtmp? -56.7 -47.17 80.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.637 -0.256 . . . . 1.22 111.011 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 71.1 mm-40 -58.82 -46.22 88.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.144 -0.48 . . . . 2.22 110.343 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 27.1 ttp -53.0 -53.41 50.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.01 -0.996 . . . . 0.76 111.077 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 31.4 mt -59.62 -57.58 12.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.086 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.55 -50.5 72.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.528 -0.76 . . . . 0.61 112.47 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.61 -50.93 47.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.061 0.393 . . . . 2.92 112.061 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.612 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 78.5 m-20 -68.83 -57.94 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.409 -0.516 . . . . 1.53 111.791 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 10.3 p30 160.38 -29.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.719 0.637 . . . . 1.9 110.257 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.93 164.13 2.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.514 0.674 . . . . 2.97 112.806 -172.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -163.32 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.346 -0.843 . . . . 2.4 110.284 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.904 ' HE2' HD21 ' A' ' 850' ' ' ASN . 17.4 t80 -60.25 124.11 19.28 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.832 -0.803 . . . . 0.54 108.832 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.6 tp -129.18 140.42 51.51 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.56 0.695 . . . . 0.56 109.749 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 2.9 m120 -128.83 145.98 51.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.071 -1.085 . . . . 0.96 108.071 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.18 124.74 66.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.941 -0.763 . . . . 0.35 108.941 -174.116 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.738 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 47.7 ttt180 -101.08 114.4 28.31 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.238 -0.437 . . . . 2.38 110.588 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.488 ' HB2' ' HG3' ' A' ' 779' ' ' GLU . 2.7 mm? -90.34 69.8 7.03 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.629 -0.878 . . . . 1.56 108.629 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.145 -0.934 . . . . 1.77 111.871 -171.068 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 3.25 109.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.2 tp -76.95 137.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.706 -0.679 . . . . 0.75 110.265 -176.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 851' ' ' ILE . 28.9 t80 -127.73 145.84 50.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.195 -0.911 . . . . 0.52 108.934 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.0 m -127.32 129.73 48.2 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.368 0.604 . . . . 1.39 110.572 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.78 146.5 27.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.725 -1.125 . . . . 0.83 109.142 -173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.1 tt -126.64 117.61 23.1 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.039 -0.665 . . . . 1.53 109.52 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.467 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.2 m -69.72 146.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.076 -0.965 . . . . 1.1 112.113 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.87 156.4 37.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.486 -0.779 . . . . 3.06 109.518 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.9 pttm 47.94 33.86 3.68 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.992 0.917 . . . . 1.8 112.843 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 14.2 t 47.28 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.947 -0.57 . . . . 1.7 111.688 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 36.5 m0 -54.13 125.79 20.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.5 112.195 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.55 38.45 0.62 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.872 0.368 . . . . 2.06 110.966 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.436 ' HD1' HD23 ' A' ' 794' ' ' LEU . 23.6 t80 72.76 -47.88 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.646 0.778 . . . . 0.47 111.354 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -58.25 -47.94 81.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.01 0.433 . . . . 1.86 110.265 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 77.0 m-20 -61.7 -41.24 97.32 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.631 -0.713 . . . . 1.36 110.738 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.8 tp -62.7 -47.11 85.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.658 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.71 -42.04 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.489 -0.323 . . . . 0.51 111.092 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.42 -41.13 96.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.815 -0.175 . . . . 2.69 111.077 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.62 97.98 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.754 0.311 . . . . 0.27 110.307 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 794' ' ' LEU . 73.4 mt -60.91 -51.84 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.721 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.78 -50.51 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.21 111.554 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.4 p -65.42 -47.03 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.804 0.335 . . . . 1.29 111.507 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.47 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 55.9 tttm -68.32 -42.29 79.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 1.95 111.644 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 111.896 0.332 . . . . 1.56 111.896 -178.631 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.304 0 CA-C-O 120.811 0.255 . . . . 0.88 111.966 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.505 HG22 ' HE2' ' A' ' 815' ' ' LYS . 17.8 mm 66.34 141.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.461 -0.791 . . . . 1.67 109.552 -175.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 64.3 p -86.57 44.57 1.16 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.322 0.86 . . . . 1.9 113.322 -162.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.639 ' HE3' ' C ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -158.16 51.75 0.43 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.219 -1.355 . . . . 2.52 110.585 171.359 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 827' ' ' VAL . 43.3 pt -65.68 146.52 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 1.06 109.73 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.931 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 37.4 tttp -126.53 144.04 51.01 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.376 -0.972 . . . . 1.35 108.376 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 828' ' ' LEU . 5.9 p90 -127.64 146.05 50.68 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.855 0.836 . . . . 0.3 111.58 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 1.028 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.5 tt0 -128.38 147.33 50.63 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.789 -1.55 . . . . 1.08 108.846 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 824' ' ' ASP . 10.7 p-10 -124.07 143.75 50.27 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.135 -1.061 . . . . 1.73 108.135 -178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 83.1 tt0 -49.13 -29.47 5.39 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.27 -0.877 . . . . 3.38 112.771 -167.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.55 -33.76 60.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 5.63 110.717 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 119.04 48.7 0.35 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 1.39 112.629 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' HB3' ' OD1' ' A' ' 820' ' ' ASP . 13.1 t70 -134.45 145.42 48.85 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.874 -0.331 . . . . 1.47 111.14 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.45 124.52 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.517 0.675 . . . . 1.16 110.097 -177.606 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -149.92 149.81 14.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 114.101 -1.408 . . . . 1.35 108.743 -171.197 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.931 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 7.3 p -122.0 136.2 59.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 O-C-N 121.557 -0.714 . . . . 1.22 109.833 -168.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.57 155.39 44.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.911 -1.04 . . . . 1.03 110.52 -169.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 178.01 42.22 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.948 -0.644 . . . . 1.2 111.969 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -137.71 -71.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.863 -0.335 . . . . 1.93 110.881 -177.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 830' ' ' SER . 50.9 t0 171.04 -56.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.339 -0.615 . . . . 1.79 109.339 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.5 mm-40 -62.94 -37.58 87.62 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.282 -0.872 . . . . 2.93 111.376 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.52 -45.67 84.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.308 -0.405 . . . . 2.14 111.32 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.502 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 20.8 t-105 -67.64 -43.29 80.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.601 -0.272 . . . . 0.26 110.711 174.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.526 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 82.8 m-20 -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.654 -0.248 . . . . 2.0 110.677 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 832' ' ' GLU . 70.0 t -60.8 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 1.36 110.71 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -57.68 -48.11 80.44 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.855 -0.338 . . . . 0.19 110.836 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 835' ' ' ASN . 50.5 mtmt -56.86 -48.86 77.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 1.22 111.236 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.344 -0.389 . . . . 2.22 110.465 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -53.51 -49.6 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.76 110.54 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 22.9 mt -62.0 -58.29 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.62 111.188 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.89 82.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.429 -0.805 . . . . 0.61 112.515 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.98 -52.52 48.78 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.083 0.239 . . . . 2.92 111.311 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.4 m-80 -68.38 -58.96 3.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.633 -0.427 . . . . 1.53 111.974 -176.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 845' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 21.4 p30 156.24 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.04 0.838 . . . . 1.9 110.023 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 846' ' ' GLU . 1.0 OUTLIER -59.39 159.91 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.322 -0.854 . . . . 2.97 111.706 -174.174 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.77 -27.25 0.1 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.334 -0.394 . . . . 2.4 110.63 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.822 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 9.0 t80 -62.39 127.79 32.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.412 -0.358 . . . . 0.54 110.094 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.7 tp -128.4 142.97 50.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.522 0.677 . . . . 0.56 110.406 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 1.028 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.7 m-80 -128.73 146.73 50.81 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.377 -0.972 . . . . 0.96 108.377 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.642 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.09 127.32 70.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.628 -0.508 . . . . 0.35 109.628 -174.07 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 71.3 ttt180 -100.49 113.52 26.37 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.055 0.455 . . . . 2.38 109.814 175.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.9 mm? -94.78 56.7 2.06 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.885 -0.598 . . . . 1.56 109.754 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.531 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 48.3 p90 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.461 -0.78 . . . . 1.77 111.236 -174.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.431 ' HG2' HD23 ' A' ' 853' ' ' LEU . 2.9 pm0 . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 109.798 -0.445 . . . . 3.25 109.798 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.5 tp -89.8 137.23 21.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.75 110.004 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.568 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.3 t80 -128.23 145.69 50.96 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.37 -0.832 . . . . 0.52 109.121 -177.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.4 p -127.0 131.89 50.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.659 -0.497 . . . . 1.39 109.659 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.3 tp -149.62 147.27 27.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.036 -0.984 . . . . 0.83 109.747 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.536 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 7.4 tp -126.09 116.74 21.85 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.914 -0.772 . . . . 1.53 108.914 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.587 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.7 m -67.37 123.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.1 111.601 -170.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -83.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 3.06 110.935 -172.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 1.7 mppt? -83.09 35.66 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.637 -0.256 . . . . 1.8 111.4 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 76.3 t 71.17 -47.18 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 122.854 0.461 . . . . 1.7 110.938 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 53.2 m0 72.09 127.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.727 0.811 . . . . 0.5 111.671 175.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -93.8 44.64 1.13 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.769 -0.456 . . . . 2.06 109.769 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.514 ' HD1' HD23 ' A' ' 794' ' ' LEU . 15.5 t80 71.82 -45.05 0.61 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.819 0.847 . . . . 0.47 111.815 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 1.86 110.259 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.441 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 1.6 t70 -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 1.36 110.438 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.514 HD23 ' HD1' ' A' ' 791' ' ' PHE . 4.2 tp -61.57 -46.14 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.06 -0.973 . . . . 0.22 110.723 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.51 110.658 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.31 -44.83 88.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 2.69 111.078 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.71 88.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.27 110.643 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 794' ' ' LEU . 82.5 mt -57.65 -53.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.67 111.198 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.36 -36.75 84.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.508 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.5 t -62.53 -47.71 82.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.061 0.458 . . . . 1.29 110.336 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' LYS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 28.9 mmmt -69.4 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.95 111.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 47.7 mt . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 116.419 -0.355 . . . . 1.56 111.642 -175.618 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 812' ' ' PRO . . . . . 0.798 ' HB2' HG23 ' A' ' 816' ' ' ILE . 6.0 Cg_exo . . . . . 0 N--CA 1.457 -0.638 0 CA-C-O 121.889 0.704 . . . . 0.88 111.219 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 813' ' ' ILE . . . . . 0.887 HG22 ' HE2' ' A' ' 815' ' ' LYS . 8.9 mm 68.13 15.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 114.377 -1.283 . . . . 1.67 111.801 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 11.1 p 69.62 -41.48 0.48 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.343 1.457 . . . . 1.9 113.59 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.887 ' HE2' HG22 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -115.17 59.13 0.71 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.175 0.988 . . . . 2.52 110.137 177.191 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.798 HG23 ' HB2' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -46.04 150.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 113.651 -1.613 . . . . 1.06 110.471 173.702 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.452 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 18.0 ttmm -126.51 145.13 50.63 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.962 -1.125 . . . . 1.35 107.962 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.0 p90 -126.39 146.02 50.23 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.69 0.757 . . . . 0.3 110.42 -169.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.851 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 12.3 tt0 -127.72 145.34 50.93 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.056 -1.429 . . . . 1.08 108.657 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.455 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 0.2 OUTLIER -126.74 137.33 53.23 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.422 -0.584 . . . . 1.73 109.422 -174.222 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 68.1 mt-10 55.17 25.12 6.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.571 -1.195 . . . . 3.38 111.636 -175.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.592 ' HA ' ' OE1' ' A' ' 819' ' ' GLN . 35.4 t70 54.54 51.75 13.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.124 -0.489 . . . . 5.63 111.294 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -161.59 -25.91 0.02 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 119.379 -1.391 . . . . 1.39 114.943 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 44.0 t0 -126.98 147.5 50.12 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.961 0.88 . . . . 1.47 110.427 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.6 ' CE1' ' NE2' ' A' ' 819' ' ' GLN . 12.3 m-85 -124.92 131.26 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.7 0.762 . . . . 1.16 111.838 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 43.4 t -145.13 148.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.054 -1.43 . . . . 1.35 107.649 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.49 139.73 49.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 118.573 0.624 . . . . 1.22 109.424 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 833' ' ' ASP . 1.3 pp -128.16 162.68 26.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.757 . . . . 1.03 112.782 -166.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 169.6 -35.14 0.18 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 114.34 -1.3 . . . . 1.2 110.534 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 831' ' ' ASP . 0.6 OUTLIER -72.55 -8.29 54.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.212 -0.494 . . . . 1.93 111.45 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 830' ' ' SER . 36.4 t70 77.82 -37.48 0.24 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.681 0.793 . . . . 1.79 111.0 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.06 -40.72 81.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.048 0.452 . . . . 2.93 110.413 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.0 OUTLIER -58.18 -43.91 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.038 -0.983 . . . . 2.14 110.266 175.02 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.615 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.7 t-105 -66.91 -42.1 85.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.498 -0.774 . . . . 0.26 110.689 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.493 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 72.9 m-20 -58.32 -45.86 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.556 -0.293 . . . . 2.0 111.221 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 833' ' ' ASP . 19.0 m -66.91 -36.37 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.585 -0.446 . . . . 1.36 110.847 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -47.52 85.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.593 0.235 . . . . 0.19 110.767 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 51.9 mtmt -59.43 -44.42 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 1.22 110.81 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 843' ' ' GLU . 51.7 mm-40 -56.59 -49.88 73.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.282 0.563 . . . . 2.22 110.008 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 41.4 ttp -53.82 -51.98 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.751 -1.113 . . . . 0.76 111.302 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 67.1 mt -60.38 -43.3 96.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.012 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.26 64.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.61 112.004 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 839' ' ' GLU . 56.1 mt-10 -63.93 -44.15 93.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 2.92 110.284 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -65.57 -34.38 78.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 1.53 111.149 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 72.29 20.04 4.22 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.591 0.756 . . . . 1.9 109.27 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 47.1 tp10 -94.1 -45.4 7.57 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.737 -1.12 . . . . 2.97 110.161 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 847' ' ' LYS . . . . . 0.685 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 36.7 ttmt 69.08 -19.24 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.286 0.847 . . . . 2.4 113.286 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.31 124.57 20.97 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.54 110.414 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 20.3 tp -128.35 140.42 51.87 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.55 -0.75 . . . . 0.56 109.846 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.851 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 1.6 m120 -128.35 145.97 50.91 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.522 -1.288 . . . . 0.96 107.522 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.568 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.8 OUTLIER -126.8 127.8 70.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.564 -0.532 . . . . 0.35 109.564 -173.509 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.406 ' HB2' ' HE2' ' A' ' 825' ' ' PHE . 51.6 ttt180 -106.96 127.59 53.58 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.721 -0.672 . . . . 2.38 110.265 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 779' ' ' GLU . 2.8 mm? -103.69 137.79 41.23 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.172 -1.047 . . . . 1.56 108.172 175.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.452 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 24.4 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.762 -0.637 . . . . 1.77 110.22 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.711 0.263 . . . . 3.17 111.711 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 5.9 pt-20 -56.7 126.23 25.87 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.248 0.547 . . . . 3.25 111.336 -177.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.4 tp -107.32 141.53 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.06 -0.973 . . . . 0.75 110.71 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.577 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.9 t80 -130.37 145.87 51.86 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.964 -1.016 . . . . 0.52 108.839 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.749 HG22 ' ND2' ' A' ' 850' ' ' ASN . 67.5 p -126.68 126.77 44.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.927 -0.398 . . . . 1.39 109.927 -175.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 17.7 tp -150.51 147.22 27.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.889 . . . . 0.83 109.994 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.75 126.2 44.21 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.918 -0.489 . . . . 1.53 109.932 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.697 HG11 ' HH2' ' A' ' 834' ' ' TRP . 17.1 m -72.4 87.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.627 -1.17 . . . . 1.1 113.195 -169.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -74.22 140.94 45.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.861 -0.609 . . . . 3.06 110.786 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 22.8 pttp 46.74 32.02 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 1.8 113.455 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.4 t 49.62 90.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.523 0.678 . . . . 1.7 112.585 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.487 ' CE3' HG12 ' A' ' 785' ' ' VAL . 22.5 m0 -68.62 140.28 55.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.56 -0.745 . . . . 0.5 112.889 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -86.71 42.32 1.01 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.839 -0.618 . . . . 2.06 110.549 175.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.515 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.9 t80 69.69 -54.78 0.6 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.992 0.917 . . . . 0.47 112.174 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.93 -41.53 96.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.221 0.534 . . . . 1.86 109.729 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.69 -39.39 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.304 -0.862 . . . . 1.36 110.092 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.1 tp -67.06 -45.8 76.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.017 -0.992 . . . . 0.22 110.83 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.95 -49.04 86.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.823 0.344 . . . . 0.51 111.019 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -40.88 88.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 2.69 110.96 178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.2 99.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.425 -0.352 . . . . 0.27 110.923 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 794' ' ' LEU . 79.6 mt -57.21 -49.76 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.608 . . . . 0.67 110.411 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.73 -37.94 87.77 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.005 -0.543 . . . . 1.21 111.038 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 804' ' ' ASN . 49.7 m -54.09 -46.09 71.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.169 0.509 . . . . 1.29 109.837 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.437 ' HG3' ' HZ ' ' A' ' 781' ' ' PHE . 46.0 mmtm -69.23 -56.49 7.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.07 175.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 51.6 mt -73.11 115.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.637 -0.256 . . . . 1.56 111.57 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 807' ' ' ASN . 69.2 p 47.05 59.89 3.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.826 -0.625 . . . . 2.88 111.489 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' A' ' 800' ' ' SER . 10.3 p-10 -56.29 -23.38 36.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.57 -0.741 . . . . 5.02 111.874 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.8 p -56.41 -91.69 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.013 -0.54 . . . . 5.49 111.972 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -165.15 37.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.157 0.503 . . . . 6.49 111.37 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 803' ' ' SER . 23.0 m120 -86.21 -131.11 0.05 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.924 -0.58 . . . . 5.72 110.051 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 40.9 p30 -76.41 49.95 0.62 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.397 0.618 . . . . 5.77 111.173 177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.68 43.35 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.556 0.693 . . . . 3.06 110.431 -178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.57 -48.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.763 0.792 . . . . 3.44 109.202 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 66.0 m -157.39 132.64 5.59 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.017 -0.992 . . . . 1.89 109.176 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 11.9 Cg_exo -73.06 54.08 2.6 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 123.058 2.505 . . . . 0.88 112.388 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 813' ' ' ILE . 35.2 mm 68.1 -3.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.938 -0.573 . . . . 1.67 110.889 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.43 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 44.8 p 59.13 9.2 1.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.427 1.091 . . . . 1.9 111.59 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.0 mmpt? -103.79 43.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 2.52 109.972 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.821 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -70.91 134.26 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.867 0.842 . . . . 1.06 111.366 -176.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.92 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 31.6 tttp -127.26 139.69 52.74 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.163 -1.421 . . . . 1.35 107.163 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.652 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 14.3 p90 -127.61 145.76 50.77 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.817 0.818 . . . . 0.3 111.697 -170.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.907 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 2.9 tt0 -128.39 144.22 51.11 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.421 -1.263 . . . . 1.08 109.42 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.522 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.4 p30 -126.61 141.04 51.98 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.04 -0.527 . . . . 1.73 109.995 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 59.4 18.43 6.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.286 -0.87 . . . . 3.38 110.165 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.7 t0 53.71 38.69 28.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.325 -0.852 . . . . 5.63 110.972 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.23 -29.05 0.2 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.805 -1.188 . . . . 1.39 114.424 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 11.1 t70 -127.63 145.41 50.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.747 0.774 . . . . 1.47 110.223 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -125.71 128.96 48.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.594 0.712 . . . . 1.16 111.328 -172.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.14 148.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.381 -1.281 . . . . 1.35 108.855 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.92 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 8.4 p -123.87 141.63 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 121.518 -0.739 . . . . 1.22 110.547 -169.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.631 HD23 ' CD1' ' A' ' 818' ' ' TYR . 4.6 pp -129.74 172.59 11.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.473 -0.785 . . . . 1.03 111.14 -171.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.04 -48.89 0.03 OUTLIER Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.914 -0.875 . . . . 1.2 110.914 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -83.09 144.57 29.79 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.221 -0.659 . . . . 1.93 109.221 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.62 65.94 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.356 0.598 . . . . 1.79 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -149.09 -47.35 0.14 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.031 -0.729 . . . . 2.93 109.031 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 31.6 m-20 -62.94 -37.14 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.606 -0.725 . . . . 2.14 109.205 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.697 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.2 t-105 -65.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.123 -0.944 . . . . 0.26 110.759 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 39.4 m-20 -60.07 -46.09 90.73 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.631 -0.507 . . . . 2.0 109.631 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.64 -45.69 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.369 -0.832 . . . . 1.36 110.636 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.91 -50.22 73.07 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 111.884 0.327 . . . . 0.19 111.884 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.538 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 51.6 mtmt -57.87 -45.44 86.32 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 121.148 -0.221 . . . . 1.22 110.836 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.47 -42.21 98.42 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.041 0.448 . . . . 2.22 110.344 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 38.6 ttp -57.8 -55.68 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.34 -0.845 . . . . 0.76 110.379 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.3 mt -54.46 -49.49 69.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.255 -0.43 . . . . 0.62 111.348 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.69 71.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.206 0.447 . . . . 0.61 112.206 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -68.58 -46.2 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 2.92 110.865 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.539 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 10.0 m-20 -64.59 -35.3 80.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 1.53 110.428 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.539 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 96.2 -12.53 0.09 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.216 . . . . 1.9 109.788 -175.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -71.54 152.92 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.318 -0.855 . . . . 2.97 110.364 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 82.6 tttt -142.47 -17.02 0.72 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.283 -0.417 . . . . 2.4 110.617 -174.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.45 ' HE2' HD22 ' A' ' 850' ' ' ASN . 10.9 t80 -61.89 124.8 21.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.74 -0.467 . . . . 0.54 109.74 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.0 tp -128.42 144.22 51.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.349 0.595 . . . . 0.56 109.413 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.907 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 32.0 m120 -128.13 145.41 51.02 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.274 -1.009 . . . . 0.96 108.274 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.651 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -126.93 124.43 64.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.212 -0.662 . . . . 0.35 109.212 -175.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.4 ttm180 -106.71 137.98 43.73 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 116.274 -0.421 . . . . 2.38 110.6 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 852' ' ' ARG . 12.7 mt -119.65 138.1 53.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 107.712 -1.218 . . . . 1.56 107.712 167.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--N 1.312 -1.035 0 CA-C-O 118.231 -0.89 . . . . 1.77 110.943 -165.64 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.892 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 13.7 p . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.639 0.256 . . . . 3.17 111.434 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.641 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 6.0 pt-20 -69.19 123.51 21.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.221 0.534 . . . . 3.25 109.852 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 850' ' ' ASN . 6.6 tp -91.0 139.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.624 -0.716 . . . . 0.75 109.576 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.64 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.8 t80 -127.57 145.25 50.93 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.818 -0.808 . . . . 0.52 108.818 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.1 m -127.29 128.86 46.65 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.838 -0.43 . . . . 1.39 109.838 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.6 tp -149.98 147.64 28.1 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.638 -1.165 . . . . 0.83 109.376 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.46 121.94 35.22 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.359 -0.608 . . . . 1.53 109.359 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.689 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.5 t -71.35 123.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.055 -1.43 . . . . 1.1 112.037 -167.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -80.2 -115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.048 -0.978 . . . . 3.06 111.138 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.785 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -76.53 54.71 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 1.8 111.821 -177.644 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.56 ' CG1' ' HD2' ' A' ' 838' ' ' LYS . 88.9 t 71.38 -50.61 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 123.024 0.53 . . . . 1.7 112.003 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.689 ' CE3' HG13 ' A' ' 785' ' ' VAL . 51.5 m0 71.08 124.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.271 0.628 . . . . 0.5 111.507 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -83.92 47.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.978 -0.451 . . . . 2.06 110.8 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.426 ' HD1' HD23 ' A' ' 794' ' ' LEU . 25.5 t80 69.65 -47.48 0.6 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.094 0.958 . . . . 0.47 112.274 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 796' ' ' MET . 54.1 m-20 -60.84 -40.09 91.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.663 0.268 . . . . 1.86 110.628 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -61.91 -41.26 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.314 0.578 . . . . 1.36 110.236 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.4 tp -62.42 -43.86 97.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.872 -1.058 . . . . 0.22 110.198 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.28 -42.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.51 110.849 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.513 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.1 mtp -59.46 -44.8 92.9 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 2.69 111.133 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.63 96.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.052 0.453 . . . . 0.27 110.359 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 794' ' ' LEU . 77.4 mt -60.23 -47.48 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.423 -0.808 . . . . 0.67 110.689 176.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.579 ' HA ' ' OD1' ' A' ' 809' ' ' ASN . 91.8 m-20 -60.82 -43.29 98.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 1.21 111.367 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 13.4 t -67.38 -50.43 59.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.874 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -68.93 -51.04 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.657 0.614 . . . . 1.95 112.657 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 54.6 mt -69.85 128.74 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.631 0.253 . . . . 1.56 110.472 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 24.9 t -171.26 154.03 3.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.288 -1.004 . . . . 2.88 108.288 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 42.4 m-20 63.58 64.24 0.81 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.381 0.61 . . . . 5.02 110.648 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 806' ' ' HIS . 9.9 t -172.67 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.956 -1.02 . . . . 5.49 110.274 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.456 ' CD2' HG23 ' A' ' 805' ' ' THR . 94.5 m-70 -114.78 164.4 14.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.079 -0.711 . . . . 6.49 109.079 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -58.4 -39.7 80.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.225 0.536 . . . . 5.72 109.62 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 42.3 p-10 -163.61 126.28 2.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.005 -0.998 . . . . 5.77 109.721 171.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.579 ' OD1' ' HA ' ' A' ' 799' ' ' ASN . 6.2 t-20 -85.3 61.53 6.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.269 0.557 . . . . 3.06 111.075 -172.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 45.2 mm -76.84 -41.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 3.44 109.137 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 70.0 m -144.23 133.63 11.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.132 -0.94 . . . . 1.89 109.038 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.0 Cg_exo -75.77 52.78 3.45 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.192 2.595 . . . . 0.88 111.984 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 70.83 -16.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.512 0.725 . . . . 1.67 110.985 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.498 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 0.0 OUTLIER 58.29 11.52 1.63 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.271 1.029 . . . . 1.9 111.72 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.679 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.5 mmpt? -106.41 37.74 2.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.793 -0.817 . . . . 2.52 108.793 173.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -72.05 152.22 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.885 -1.052 . . . . 1.06 111.527 -173.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.966 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.8 mttt -126.55 146.06 50.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.712 -1.585 . . . . 1.35 107.478 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.686 ' HD2' HD12 ' A' ' 828' ' ' LEU . 7.3 p90 -126.25 143.85 51.0 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.654 0.74 . . . . 0.3 109.734 -175.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.914 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 6.5 tt0 -128.47 141.05 51.51 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.038 -1.437 . . . . 1.08 109.057 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.446 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 3.5 p30 -126.41 139.88 52.92 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.914 -0.585 . . . . 1.73 110.012 -171.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 56.21 19.92 4.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.615 -1.175 . . . . 3.38 110.72 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 27.1 t70 54.29 44.25 29.3 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.217 -0.901 . . . . 5.63 110.878 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -147.31 -27.09 0.08 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 119.882 -1.151 . . . . 1.39 114.401 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 1.8 m-20 -127.23 145.88 50.61 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 117.627 0.713 . . . . 1.47 110.506 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.36 128.94 47.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.577 0.703 . . . . 1.16 110.943 -172.558 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.3 148.98 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.455 -1.248 . . . . 1.35 109.009 -172.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.872 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 7.4 p -123.31 138.65 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 121.445 -0.784 . . . . 1.22 110.996 -169.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -133.61 168.88 17.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.173 -0.921 . . . . 1.03 110.837 -173.403 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -172.03 -35.37 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.797 -0.716 . . . . 1.2 111.93 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.0 p -79.04 -74.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.572 0.225 . . . . 1.93 111.244 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t70 179.64 -45.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.069 -0.514 . . . . 1.79 110.552 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 832' ' ' GLU . 5.3 mp0 -52.63 -45.85 66.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.363 -0.835 . . . . 2.93 111.94 -174.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 836' ' ' VAL . 56.8 m-20 -66.25 -37.73 86.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.444 . . . . 2.14 111.169 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.644 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 18.5 t-105 -67.83 -40.46 83.77 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.549 -0.46 . . . . 0.26 109.783 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.549 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.3 t30 -58.69 -47.27 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 2.0 111.188 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 833' ' ' ASP . 7.4 p -65.24 -36.56 78.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 120.817 -0.353 . . . . 1.36 110.576 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.1 -51.66 68.68 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.562 0.22 . . . . 0.19 111.245 176.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 49.0 mtmt -56.68 -47.81 79.04 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.253 -0.431 . . . . 1.22 110.708 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.42 -44.68 95.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.671 -0.695 . . . . 2.22 110.708 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.446 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.9 ttp -53.55 -50.64 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.716 -0.675 . . . . 0.76 111.182 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 24.7 mt -59.68 -57.25 13.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 0.62 110.974 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.95 82.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.817 -0.629 . . . . 0.61 112.236 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -65.44 -52.11 55.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.517 . . . . 2.92 111.313 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.0 m-80 -68.78 -58.6 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.061 -0.255 . . . . 1.53 111.28 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 19.4 p30 158.42 -30.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.955 0.785 . . . . 1.9 110.784 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.13 -178.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.924 1.083 . . . . 2.97 113.924 -169.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -164.43 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.649 -1.614 . . . . 2.4 109.932 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.22 123.72 17.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.632 -0.507 . . . . 0.54 109.632 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.2 tp -130.75 142.94 50.43 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.58 0.705 . . . . 0.56 109.806 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.914 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.3 m-80 -128.29 146.03 50.88 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.864 -1.162 . . . . 0.96 107.864 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.64 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.9 OUTLIER -125.96 124.74 66.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.981 -0.748 . . . . 0.35 108.981 -173.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.966 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.2 ttt85 -95.97 122.46 38.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.594 -0.73 . . . . 2.38 110.44 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 6.4 mp -114.38 63.58 0.66 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.959 -1.126 . . . . 1.56 107.959 169.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.892 ' HA ' ' HA ' ' A' ' 778' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.657 0 CA-C-N 113.396 -1.729 . . . . 1.77 111.899 -175.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.532 -0.173 . . . . 3.17 110.532 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.578 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 83.8 mt-10 55.24 45.94 24.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.294 1.045 . . . . 3.25 109.899 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 779' ' ' GLU . 0.4 OUTLIER 170.04 128.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 112.592 -2.095 . . . . 0.75 108.904 176.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.436 ' N ' HD13 ' A' ' 780' ' ' ILE . 26.4 t80 -149.59 146.67 27.44 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.115 -1.069 . . . . 0.52 108.115 -175.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.7 t -126.3 132.87 51.56 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.385 0.612 . . . . 1.39 110.641 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.1 tp -150.14 148.18 28.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 113.932 -1.485 . . . . 0.83 109.065 -169.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.509 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 8.3 tp -125.02 118.63 26.64 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.21 -0.663 . . . . 1.53 109.21 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.517 HG11 ' HH2' ' A' ' 834' ' ' TRP . 24.8 m -64.8 132.82 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.013 -0.994 . . . . 1.1 111.408 -172.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -94.54 -116.64 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.4 -0.818 . . . . 3.06 110.81 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.1 OUTLIER -73.6 42.77 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.439 0.533 . . . . 1.8 112.439 -176.584 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.25 81.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.562 0.696 . . . . 1.7 110.953 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.453 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 26.6 m0 -63.96 138.0 58.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.151 -0.931 . . . . 0.5 112.479 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -84.95 41.37 0.86 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.052 -0.522 . . . . 2.06 110.68 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.482 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.8 t80 68.96 -51.87 0.58 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.658 0.783 . . . . 0.47 111.933 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.47 -43.16 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 1.86 109.965 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 796' ' ' MET . 3.1 m-20 -62.08 -41.49 98.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.186 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -64.01 -42.73 97.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.085 -0.962 . . . . 0.22 110.499 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 791' ' ' PHE . 28.3 mm -61.54 -51.03 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.458 -0.337 . . . . 0.51 111.668 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 27.0 ptm -62.64 -36.62 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.138 -0.225 . . . . 2.69 110.405 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 797' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 801' ' ' LYS . . . -62.38 -51.25 68.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.27 110.454 175.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 794' ' ' LEU . 94.0 mt -53.85 -50.67 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.196 0.522 . . . . 0.67 110.879 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.656 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 34.0 m-20 -58.17 -51.24 70.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.356 -0.838 . . . . 1.21 111.941 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 29.7 t -65.43 -39.25 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.275 -0.42 . . . . 1.29 111.387 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 797' ' ' ALA . 29.0 mmmt -68.05 -42.26 80.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.341 -0.224 . . . . 1.95 111.151 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 59.2 mt -72.18 -53.1 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.661 0.267 . . . . 1.56 111.409 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 12.0 m -103.14 37.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.673 -0.24 . . . . 2.88 111.536 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -52.03 -45.66 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 5.02 111.848 -176.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 10.8 t -76.85 -36.84 56.53 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.962 0.356 . . . . 5.49 111.962 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -78.12 -58.64 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.642 0.608 . . . . 6.49 112.642 -175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -173.52 155.92 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.414 -0.587 . . . . 5.72 109.414 -173.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 1.1 p-10 -59.09 -12.54 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.652 0.241 . . . . 5.77 111.652 178.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 799' ' ' ASN . 17.7 t-20 71.01 135.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.557 0.743 . . . . 3.06 112.063 170.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 50.2 mm -77.75 -46.84 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.29 -0.868 . . . . 3.44 111.335 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 43.7 p -157.77 138.95 9.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.89 110.397 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 1.6 Cg_endo -78.19 53.05 4.32 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.185 2.59 . . . . 0.88 111.686 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 815' ' ' LYS . 35.6 mm 73.21 -14.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.78 -0.646 . . . . 1.67 111.591 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 27.8 p 70.46 -29.63 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 1.9 111.707 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.5 OUTLIER -75.58 67.35 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.792 -0.448 . . . . 2.52 109.792 173.414 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.9 pt -99.65 139.67 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 122.212 1.006 . . . . 1.06 111.845 -174.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.657 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 79.8 mttt -127.8 146.65 50.53 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.722 -1.581 . . . . 1.35 108.294 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.5 p90 -126.74 145.14 50.71 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.331 0.586 . . . . 0.3 109.849 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.9 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 7.0 tt0 -128.15 143.19 51.03 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.951 -1.022 . . . . 1.08 109.313 -176.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.71 144.46 50.92 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.247 -0.649 . . . . 1.73 109.247 -176.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 84.9 mt-10 62.94 9.14 3.54 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.25 -0.886 . . . . 3.38 112.073 -175.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.1 t0 57.58 50.59 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 5.63 110.131 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -158.71 -24.94 0.03 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.226 -0.988 . . . . 1.39 114.088 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 35.8 t70 -127.8 145.4 50.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.427 0.614 . . . . 1.47 110.325 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -125.28 131.84 53.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.707 0.765 . . . . 1.16 110.996 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 23.9 t -137.79 149.21 25.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.304 -1.316 . . . . 1.35 108.329 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.657 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 11.9 p -123.4 133.77 68.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.238 -0.653 . . . . 1.22 109.238 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.1 pp -128.51 156.79 42.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.347 -0.842 . . . . 1.03 111.535 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -171.59 -30.01 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 1.2 112.054 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.6 m -82.34 14.52 2.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.771 -0.252 . . . . 1.93 111.451 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.01 -45.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.759 0.824 . . . . 1.79 112.385 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -57.98 -36.07 72.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 2.93 111.081 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 1.6 m-20 -56.18 -40.32 73.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.918 -0.583 . . . . 2.14 110.669 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.517 ' HH2' HG11 ' A' ' 785' ' ' VAL . 33.1 t-105 -64.96 -41.78 95.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.26 110.654 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.469 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 33.8 m120 -58.6 -41.68 86.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.263 -0.426 . . . . 2.0 110.072 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.18 -45.05 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.708 . . . . 1.36 110.664 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.85 -47.22 87.34 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.66 0.244 . . . . 0.19 111.66 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 7.4 mtmp? -57.76 -50.38 73.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.083 0.468 . . . . 1.22 110.723 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -41.19 98.3 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.368 -0.833 . . . . 2.22 110.152 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 38.2 ttp -52.33 -51.08 60.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.069 -0.514 . . . . 0.76 110.575 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 25.8 mt -59.7 -57.49 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.62 110.96 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.96 76.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.697 -0.683 . . . . 0.61 112.621 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -50.09 65.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 2.92 111.197 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 14.2 m-20 -68.69 -59.18 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 1.53 110.987 -176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 20.7 p30 152.34 -26.5 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.053 0.941 . . . . 1.9 110.026 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 13.7 tp10 -67.41 168.98 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.791 . . . . 2.97 111.728 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.509 ' HG2' ' HG ' ' A' ' 784' ' ' LEU . 36.6 ttmt -154.65 -22.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.957 -0.565 . . . . 2.4 110.96 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.55 124.32 19.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.261 -0.274 . . . . 0.54 110.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 819' ' ' GLN . 18.9 tp -128.9 145.34 51.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.598 . . . . 0.56 110.606 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.9 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 36.5 m120 -133.76 145.27 49.65 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.942 -0.762 . . . . 0.96 108.942 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -128.17 129.99 69.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.634 0.254 . . . . 0.35 110.764 -176.4 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 779' ' ' GLU . 74.8 ttt180 -112.68 118.75 35.9 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.853 -0.339 . . . . 2.38 111.035 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.586 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -111.99 133.82 53.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.019 -1.104 . . . . 1.56 108.019 168.658 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 817' ' ' LYS . 32.2 p90 . . . . . 0 C--N 1.314 -0.973 0 CA-C-O 118.378 -0.82 . . . . 1.77 110.907 -165.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.922 0.392 . . . . 3.17 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 1.6 pm0 -63.41 117.9 7.33 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.686 -0.688 . . . . 3.25 110.15 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -100.08 138.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.929 -1.032 . . . . 0.75 109.484 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.491 ' HD2' HG13 ' A' ' 851' ' ' ILE . 12.2 t80 -128.15 145.32 51.06 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.243 -0.651 . . . . 0.52 109.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.7 m -127.06 131.44 50.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.408 -0.59 . . . . 1.39 109.408 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.64 146.28 27.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.043 -0.98 . . . . 0.83 109.975 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.92 118.68 25.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.23 -0.656 . . . . 1.53 109.23 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.486 HG11 ' HH2' ' A' ' 834' ' ' TRP . 10.8 m -68.16 129.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 1.1 111.033 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 787' ' ' LYS . 27.1 tp10 -95.45 -108.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.791 -0.64 . . . . 3.06 111.109 -173.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.654 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER -76.12 47.43 0.45 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.176 0.436 . . . . 1.8 112.176 -175.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 22.5 t 57.56 70.27 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.327 0.584 . . . . 1.7 110.781 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 40.8 m0 -55.79 134.64 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.5 111.563 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -94.82 48.47 1.2 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 2.06 110.65 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.449 ' O ' HG12 ' A' ' 795' ' ' ILE . 18.9 t80 71.18 -53.27 0.68 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.682 0.793 . . . . 0.47 111.578 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.79 -42.04 96.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 1.86 110.171 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 796' ' ' MET . 43.5 m-20 -63.93 -41.91 97.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.59 0.709 . . . . 1.36 110.674 176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 798' ' ' ILE . 2.6 tp -63.69 -40.73 97.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.078 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 791' ' ' PHE . 34.5 mm -64.91 -45.87 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.543 177.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 25.5 ptm -61.91 -36.91 82.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.982 -0.287 . . . . 2.69 110.546 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.51 88.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.009 0.433 . . . . 0.27 110.353 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 794' ' ' LEU . 78.2 mt -59.2 -46.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.665 -0.698 . . . . 0.67 110.678 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.446 ' HA ' ' OD1' ' A' ' 809' ' ' ASN . 92.7 m-20 -59.32 -47.99 83.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 1.21 111.828 -175.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.3 p -68.41 -47.75 66.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.758 0.313 . . . . 1.29 111.495 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.87 -45.25 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.778 0.658 . . . . 1.95 112.778 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 798' ' ' ILE . 42.3 mt -78.16 137.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.308 . . . . 1.56 110.476 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -94.46 -158.79 0.66 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.011 0.434 . . . . 2.88 110.868 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 808' ' ' ASN . 31.7 p30 -77.15 63.82 2.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 5.02 112.075 -178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 19.2 p -59.03 -55.46 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.111 -0.495 . . . . 5.49 111.746 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -115.66 -64.11 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.124 0.487 . . . . 6.49 109.755 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -132.67 112.18 11.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.347 -0.982 . . . . 5.72 108.347 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 804' ' ' ASN . 3.7 p30 33.28 -130.44 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.385 1.053 . . . . 5.77 111.525 -177.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.446 ' OD1' ' HA ' ' A' ' 799' ' ' ASN . 4.4 t-20 -175.18 42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.27 0.557 . . . . 3.06 110.541 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.16 -43.07 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.313 -0.995 . . . . 3.44 108.313 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.478 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 49.4 m -130.43 130.53 23.0 Favored Pre-proline 0 N--CA 1.443 -0.785 0 CA-C-N 114.405 -1.271 . . . . 1.89 108.686 171.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 8.0 Cg_exo -73.56 49.97 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.155 2.57 . . . . 0.88 111.659 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm 71.4 -10.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.48 -0.782 . . . . 1.67 110.847 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.517 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 52.3 p 59.96 11.42 2.61 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.409 1.084 . . . . 1.9 111.244 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.73 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -111.95 47.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 2.52 109.603 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 828' ' ' LEU . 34.2 pt -84.52 141.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.742 0.782 . . . . 1.06 111.115 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -126.71 143.79 51.13 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.958 -1.497 . . . . 1.35 106.958 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CD2' HD23 ' A' ' 828' ' ' LEU . 12.0 p90 -126.54 147.45 49.86 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.338 0.59 . . . . 0.3 110.406 -164.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.012 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.7 tt0 -126.3 144.85 50.65 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.525 -1.216 . . . . 1.08 108.867 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 0.2 OUTLIER -126.55 148.12 49.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.269 -0.878 . . . . 1.73 109.601 -170.024 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -32.58 -36.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.058 1.743 . . . . 3.38 113.675 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.18 -31.47 71.21 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.219 0.533 . . . . 5.63 111.272 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 105.75 48.75 1.0 Allowed Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.876 -0.889 . . . . 1.39 110.876 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 36.9 t70 -134.89 149.4 50.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.293 -0.453 . . . . 1.47 111.11 -171.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -123.59 129.4 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 122.034 0.921 . . . . 1.16 110.911 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 75.1 t -141.34 148.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 113.863 -1.517 . . . . 1.35 107.91 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.6 p -123.15 135.49 62.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 118.323 0.51 . . . . 1.22 109.665 -172.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.685 HD11 HD11 ' A' ' 816' ' ' ILE . 4.4 pp -128.86 156.85 43.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.03 -0.986 . . . . 1.03 111.866 -166.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 171.56 32.28 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.258 -0.883 . . . . 1.2 112.043 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -154.92 27.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.723 0.262 . . . . 1.93 110.917 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.63 -54.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.43 0.692 . . . . 1.79 112.775 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -56.87 -44.46 82.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.927 0.491 . . . . 2.93 110.62 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -47.37 76.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.79 . . . . 2.14 111.037 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.486 ' HH2' HG11 ' A' ' 785' ' ' VAL . 31.8 t-105 -63.19 -39.57 95.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 0.26 110.944 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.505 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 49.2 t30 -59.49 -40.69 87.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.984 -0.287 . . . . 2.0 110.319 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.18 -45.52 95.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 1.36 110.43 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.632 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.13 -48.86 77.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.675 0.274 . . . . 0.19 111.117 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.505 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 9.2 mtmp? -58.84 -49.94 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 1.22 110.972 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.06 -44.2 91.79 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.024 -0.534 . . . . 2.22 110.289 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 837' ' ' ALA . 36.2 ttp -52.51 -54.02 38.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.76 111.164 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 1.018 ' HA ' ' HG2' ' A' ' 846' ' ' GLU . 25.1 mt -58.94 -57.78 11.54 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.306 0.574 . . . . 0.62 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.25 84.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.554 -0.748 . . . . 0.61 112.628 -173.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.39 -52.04 37.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.975 -0.29 . . . . 2.92 111.482 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 75.6 m-80 -69.5 -58.23 4.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.178 -0.609 . . . . 1.53 111.453 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 16.8 p30 158.73 -27.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.123 0.569 . . . . 1.9 110.783 176.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 1.018 ' HG2' ' HA ' ' A' ' 841' ' ' LEU . 3.6 pm0 -59.46 168.97 1.37 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.668 0.747 . . . . 2.97 112.819 -174.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 847' ' ' LYS . 0.4 OUTLIER -153.35 -28.19 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.112 -0.949 . . . . 2.4 110.15 178.408 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.482 ' HE2' HD21 ' A' ' 850' ' ' ASN . 5.4 t80 -57.19 127.82 33.86 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.54 110.576 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.7 tp -130.45 138.94 50.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 0.56 110.002 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.92 146.61 50.9 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.59 -0.893 . . . . 0.96 108.59 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.491 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -126.29 124.79 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.441 -0.577 . . . . 0.35 109.441 -177.033 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.501 ' NE ' ' HB3' ' A' ' 854' ' ' TYR . 75.7 ttt180 -102.93 129.97 49.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.329 -0.85 . . . . 2.38 110.479 -178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.636 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 10.0 mt -109.83 74.07 0.87 Allowed 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.468 -0.938 . . . . 1.56 108.468 166.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.501 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-N 114.386 -1.279 . . . . 1.77 112.184 -172.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 120.727 0.298 . . . . 3.17 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.3 122.5 20.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 3.25 109.304 171.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.49 140.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.457 0.646 . . . . 0.75 109.907 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.607 ' HE2' HD13 ' A' ' 798' ' ' ILE . 20.5 t80 -127.67 145.89 50.74 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.52 108.818 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.662 HG22 ' OD1' ' A' ' 850' ' ' ASN . 16.3 p -126.14 128.38 47.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.109 0.48 . . . . 1.39 109.717 -173.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 30.3 tp -149.55 147.61 28.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.993 -1.003 . . . . 0.83 109.629 -170.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 848' ' ' PHE . 8.3 tp -125.83 112.75 16.38 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.696 -0.853 . . . . 1.53 108.696 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.488 HG12 ' CZ3' ' A' ' 789' ' ' TRP . 30.6 m -64.83 112.39 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 1.1 109.953 -174.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.63 -35.88 81.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.059 -0.973 . . . . 3.06 110.222 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 -165.66 0.92 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.919 -1.037 . . . . 1.8 108.232 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.2 119.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.244 0.545 . . . . 1.7 110.091 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.488 ' CZ3' HG12 ' A' ' 785' ' ' VAL . 14.2 m0 -110.96 122.04 46.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.511 -0.768 . . . . 0.5 109.821 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -80.29 41.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.891 0.377 . . . . 2.06 110.869 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 27.5 t80 69.42 -45.15 0.56 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.269 1.028 . . . . 0.47 111.97 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -61.73 -44.13 97.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.393 0.14 . . . . 1.86 110.664 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -59.91 -46.9 87.89 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.518 0.675 . . . . 1.36 109.957 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 798' ' ' ILE . 7.1 tp -59.46 -50.19 74.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.563 -1.198 . . . . 0.22 111.138 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.6 mm -66.45 -37.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.208 0.447 . . . . 0.51 112.208 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 70.7 mtm -61.25 -44.28 97.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.084 -0.339 . . . . 2.69 110.084 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.25 99.71 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.803 -0.635 . . . . 0.27 110.28 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 794' ' ' LEU . 31.4 mm -56.4 -58.16 6.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 CA-C-N 115.903 -0.59 . . . . 0.67 110.881 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -59.09 -46.26 88.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.539 . . . . 1.21 111.734 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.0 t -59.8 -52.01 67.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.172 -0.467 . . . . 1.29 110.741 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -68.44 -37.8 80.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.606 0.595 . . . . 1.95 112.606 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 798' ' ' ILE . 30.6 mm -58.11 -41.58 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.241 0.543 . . . . 1.56 109.926 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -73.01 -40.23 65.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.83 -0.623 . . . . 2.88 110.021 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -77.27 59.68 1.83 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.367 0.603 . . . . 5.02 111.553 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.2 t -176.59 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.747 -0.66 . . . . 5.49 109.258 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -84.96 -156.53 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 6.49 109.805 171.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -99.42 -54.68 2.88 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.813 0.339 . . . . 5.72 110.197 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -116.36 159.35 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 5.77 109.501 173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -61.35 115.11 3.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 3.06 110.262 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 46.2 mm -78.47 -41.36 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.035 -0.53 . . . . 3.44 110.414 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 18.4 m 68.91 148.9 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 123.784 0.677 . . . . 1.89 110.887 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 853' ' ' LEU . 74.1 Cg_endo -76.55 12.28 1.67 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.214 1.943 . . . . 0.88 111.871 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 814' ' ' THR . 49.1 mm 71.29 -53.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.022 -0.99 . . . . 1.67 110.39 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 813' ' ' ILE . 2.5 t 176.78 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 1.9 109.585 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.416 ' CA ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -87.06 144.95 26.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.881 -0.6 . . . . 2.52 111.711 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 852' ' ' ARG . 15.4 pt -146.27 153.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.427 -0.806 . . . . 1.06 109.858 176.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.3 mtpt -127.75 146.08 50.7 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.991 -1.115 . . . . 1.35 107.991 174.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.706 ' HD2' HD12 ' A' ' 828' ' ' LEU . 11.9 p90 -126.67 146.03 50.35 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.495 0.664 . . . . 0.3 110.473 -171.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.059 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 6.5 tt0 -127.8 143.94 51.11 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.324 -1.307 . . . . 1.08 109.503 -174.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -126.07 135.99 52.41 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.406 0.441 . . . . 1.73 109.986 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.5 tp10 55.43 25.35 7.62 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.01 -1.45 . . . . 3.38 110.589 -173.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.428 ' HA ' ' HG2' ' A' ' 819' ' ' GLN . 19.6 t70 51.16 40.09 25.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.023 -0.99 . . . . 5.63 110.763 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -129.2 -40.12 0.29 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.179 -1.01 . . . . 1.39 113.784 -173.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 2.2 m-20 -128.14 147.06 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.304 0.552 . . . . 1.47 111.674 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.933 ' HD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.73 131.95 53.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.528 0.68 . . . . 1.16 110.369 -172.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.16 150.78 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 113.674 -1.603 . . . . 1.35 108.366 -169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.742 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.8 p -121.4 134.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.156 -0.965 . . . . 1.22 111.009 -166.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.706 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -139.37 159.41 42.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.986 -1.461 . . . . 1.03 110.572 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.14 45.24 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.53 -0.843 . . . . 1.2 112.529 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 34.0 t -144.37 -74.91 0.24 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.786 -0.365 . . . . 1.93 110.578 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 27.4 t70 175.93 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 1.79 109.895 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 836' ' ' VAL . 34.0 tt0 -58.64 -44.79 90.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 2.93 110.424 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.484 ' CG ' ' HB2' ' A' ' 828' ' ' LEU . 1.5 p30 -57.22 -47.82 80.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 2.14 111.611 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.448 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 28.8 t-105 -66.18 -38.08 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.157 -0.217 . . . . 0.26 110.725 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -59.37 -42.24 91.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 110.34 -0.244 . . . . 2.0 110.34 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 832' ' ' GLU . 75.2 t -59.63 -45.52 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 1.36 110.413 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.29 -51.95 67.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.657 -0.247 . . . . 0.19 111.111 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.448 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 31.3 mtmm -58.39 -47.48 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.592 -0.276 . . . . 1.22 111.506 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.42 -41.96 98.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.639 -0.255 . . . . 2.22 110.691 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -56.52 -52.57 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.261 -0.427 . . . . 0.76 110.683 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.42 -57.84 11.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.186 0.517 . . . . 0.62 111.334 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.18 81.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.61 112.23 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -68.58 -51.12 46.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.492 -0.322 . . . . 2.92 111.189 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 36.7 m-20 -69.17 -58.28 4.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.853 -0.339 . . . . 1.53 111.588 -175.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 7.6 p30 158.08 -31.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.884 0.74 . . . . 1.9 109.715 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 31.4 mp0 -55.5 159.47 2.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.613 -0.721 . . . . 2.97 112.421 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -153.13 -25.8 0.15 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.76 -0.654 . . . . 2.4 110.929 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 784' ' ' LEU . 13.9 t80 -65.74 131.26 45.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.056 -0.35 . . . . 0.54 110.056 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.606 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 13.2 tp -128.64 145.01 51.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.603 0.716 . . . . 0.56 110.325 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.059 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.5 m-80 -128.49 145.09 51.21 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.884 -1.154 . . . . 0.96 107.884 177.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -127.62 129.22 70.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.715 -0.394 . . . . 0.35 110.296 -172.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 55.5 ttt180 -106.99 124.43 49.61 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 116.119 -0.492 . . . . 2.38 110.424 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -119.75 138.1 53.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.618 -0.882 . . . . 1.56 108.618 170.047 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.577 ' HD2' ' HG2' ' A' ' 852' ' ' ARG . 35.9 p90 . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 118.392 -0.814 . . . . 1.77 110.201 -167.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.795 0.331 . . . . 3.17 111.154 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 43.0 mt-10 -64.61 137.84 58.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.945 0.402 . . . . 3.25 110.235 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.3 tp -113.88 134.94 55.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.736 -0.665 . . . . 0.75 110.196 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HD2' HG13 ' A' ' 851' ' ' ILE . 27.6 t80 -128.68 146.84 50.76 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.76 -0.83 . . . . 0.52 108.76 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 98.5 m -126.1 127.17 45.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.384 0.611 . . . . 1.39 109.937 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 22.6 tp -149.82 146.54 27.2 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.395 -1.275 . . . . 0.83 108.743 -172.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 847' ' ' LYS . 4.8 tt -126.85 119.83 27.75 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 119.953 -0.699 . . . . 1.53 109.649 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -65.51 132.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.705 -1.134 . . . . 1.1 111.978 -170.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -86.86 -120.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 3.06 110.788 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.89 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -73.11 53.76 0.38 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.332 -0.849 . . . . 1.8 112.225 -178.499 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 21.4 t 56.05 74.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.366 0.603 . . . . 1.7 111.142 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 35.9 m0 -57.92 129.65 42.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.5 -0.773 . . . . 0.5 111.9 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -84.19 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.353 0.596 . . . . 2.06 110.531 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 15.8 t80 69.16 -53.23 0.59 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.938 0.895 . . . . 0.47 112.484 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.77 -40.88 94.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.838 0.351 . . . . 1.86 110.691 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 796' ' ' MET . 1.1 m-20 -65.16 -40.18 93.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 1.36 110.41 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 798' ' ' ILE . 6.3 tp -64.02 -44.93 91.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.22 110.509 176.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.8 mm -60.07 -50.8 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.51 111.596 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -64.07 -36.68 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.194 -0.202 . . . . 2.69 110.903 -177.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.74 87.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.885 0.374 . . . . 0.27 110.288 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.438 HD13 HG21 ' A' ' 851' ' ' ILE . 85.7 mt -60.98 -46.21 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.67 110.524 175.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.466 ' HB3' ' HB3' ' A' ' 808' ' ' ASN . 70.3 m-20 -62.5 -39.78 94.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.741 . . . . 1.21 112.062 -176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 p -69.21 -40.32 78.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 1.29 110.552 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -68.06 -57.48 6.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 1.95 112.022 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 63.1 mt -76.4 137.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 1.56 110.186 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.0 m 64.34 46.24 3.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.835 0.826 . . . . 2.88 109.722 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -56.53 -34.15 66.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.281 -1.327 . . . . 5.02 111.918 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.99 73.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.046 -0.525 . . . . 5.49 111.115 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -79.6 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.644 . . . . 6.49 109.762 174.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -118.92 -61.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.216 -0.661 . . . . 5.72 109.216 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.466 ' HB3' ' HB3' ' A' ' 799' ' ' ASN . 27.7 m-80 -134.59 136.91 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.712 -0.676 . . . . 5.77 110.018 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -63.33 -38.31 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 3.06 110.512 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 50.9 mm 69.2 98.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 115.592 -0.731 . . . . 3.44 110.764 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.463 ' H ' HD22 ' A' ' 799' ' ' ASN . 20.2 m 56.72 85.75 0.18 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.058 -0.973 . . . . 1.89 110.969 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.483 ' O ' HG22 ' A' ' 816' ' ' ILE . 28.0 Cg_exo -60.41 111.1 0.92 Allowed 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.587 2.191 . . . . 0.88 111.828 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.841 HG22 HG22 ' A' ' 814' ' ' THR . 48.3 mm 70.7 -67.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.796 -1.093 . . . . 1.67 109.394 -171.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.841 HG22 HG22 ' A' ' 813' ' ' ILE . 2.8 t 168.27 -46.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.275 -0.875 . . . . 1.9 109.755 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 814' ' ' THR . 24.5 mmmt -104.52 -44.05 5.0 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.495 . . . . 2.52 110.42 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 815' ' ' LYS . 1.4 pt 71.3 149.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 124.963 1.415 . . . . 1.06 110.855 -173.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 1.002 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 18.2 ttmm -127.47 145.81 50.71 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.226 -1.398 . . . . 1.35 107.226 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.1 p90 -126.81 146.55 50.22 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.226 0.536 . . . . 0.3 110.323 -170.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.01 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 8.5 tt0 -127.55 146.16 50.61 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.531 -1.213 . . . . 1.08 108.758 -173.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.577 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 2.8 p30 -125.77 146.33 49.82 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.418 -0.586 . . . . 1.73 109.418 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.7 tp10 -38.72 -40.01 0.56 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.722 -1.126 . . . . 3.38 113.249 -170.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.17 -31.81 65.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 5.63 111.392 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 113.81 47.95 0.6 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.571 -0.612 . . . . 1.39 111.571 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.577 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 33.6 t70 -128.58 147.9 50.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.687 -0.256 . . . . 1.47 110.903 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.59 126.13 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.644 0.735 . . . . 1.16 109.951 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 44.7 t -136.4 147.88 27.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.408 -1.269 . . . . 1.35 108.38 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.79 139.07 51.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 108.73 -0.841 . . . . 1.22 108.73 -175.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.545 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.8 pp -128.0 156.62 42.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.559 -0.746 . . . . 1.03 111.97 -166.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.73 -33.37 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 114.951 -1.022 . . . . 1.2 111.365 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -83.89 12.89 5.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.648 0.24 . . . . 1.93 111.648 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.69 -47.64 0.65 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.405 0.682 . . . . 1.79 111.705 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 836' ' ' VAL . 81.9 mt-10 -54.59 -36.87 64.88 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.898 0.479 . . . . 2.93 111.39 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -57.31 -44.01 83.76 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.472 0.654 . . . . 2.14 110.037 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 27.4 t-105 -65.14 -39.75 93.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.495 -0.775 . . . . 0.26 110.86 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.481 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.6 t30 -58.8 -41.39 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.094 -0.336 . . . . 2.0 110.094 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 832' ' ' GLU . 95.6 t -58.83 -45.67 91.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.516 -0.765 . . . . 1.36 110.426 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.674 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.1 -49.03 78.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.19 111.458 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 50.4 mtmt -55.0 -49.57 71.17 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.726 0.298 . . . . 1.22 111.037 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.13 -39.97 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.665 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.574 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.2 ttp -55.92 -55.36 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.494 . . . . 0.76 111.044 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 15.4 mt -55.57 -55.72 28.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.425 . . . . 0.62 110.768 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.88 62.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.661 -0.7 . . . . 0.61 112.681 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.1 -44.81 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.509 0.195 . . . . 2.92 111.379 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 50.7 m-20 -68.12 -57.63 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.889 -0.325 . . . . 1.53 110.612 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.646 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 8.1 p30 140.88 -26.31 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.899 1.375 . . . . 1.9 108.433 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 78.9 mt-10 -78.16 88.45 4.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.419 -1.264 . . . . 2.97 110.977 -171.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 13.0 ttmm -81.69 -5.88 58.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.642 -0.708 . . . . 2.4 110.567 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.7 t80 -67.06 126.31 28.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.073 -0.512 . . . . 0.54 110.478 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 819' ' ' GLN . 29.3 tp -128.1 141.27 51.54 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.56 110.521 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.01 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -129.02 147.01 50.85 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.075 -1.083 . . . . 0.96 108.075 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.523 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -125.9 125.33 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.293 0.568 . . . . 0.35 109.973 -173.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 1.002 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 7.3 tpt180 -90.47 132.66 35.53 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.85 -1.068 . . . . 2.38 111.138 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 779' ' ' GLU . 1.2 mm? -116.0 136.84 52.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.776 -1.194 . . . . 1.56 107.776 166.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.211 -0.9 . . . . 1.77 110.307 -166.561 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.86 0.362 . . . . 3.17 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.07 135.42 41.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.274 -0.639 . . . . 3.25 109.274 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.0 tp -83.7 138.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 N-CA-C 109.468 -0.568 . . . . 0.75 109.468 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' A' ' 851' ' ' ILE . 17.5 t80 -127.3 145.39 50.81 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.893 -0.78 . . . . 0.52 108.893 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.2 m -126.65 129.76 49.12 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.695 -0.483 . . . . 1.39 109.695 -174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.7 tp -149.33 145.07 26.83 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.871 -1.058 . . . . 0.83 109.114 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.695 HD21 ' HD2' ' A' ' 847' ' ' LYS . 7.0 tt -128.59 113.64 15.69 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.743 -0.836 . . . . 1.53 108.743 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 22.6 m -63.29 105.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.306 -0.861 . . . . 1.1 111.088 -169.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.29 -41.97 72.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.108 -0.951 . . . . 3.06 111.603 -171.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.634 ' HD2' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -140.04 50.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.961 0.41 . . . . 1.8 110.557 176.542 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.878 HG22 ' HD2' ' A' ' 838' ' ' LYS . 1.2 p 65.49 -41.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.565 1.546 . . . . 1.7 113.43 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.634 ' CD1' ' HD2' ' A' ' 787' ' ' LYS . 30.6 m0 66.79 126.66 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.47 0.652 . . . . 0.5 112.153 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -84.49 42.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.917 -0.583 . . . . 2.06 110.641 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 34.6 t80 72.28 -50.14 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.202 -0.908 . . . . 0.47 112.033 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.14 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 1.86 110.669 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -67.99 -40.05 83.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.912 -0.586 . . . . 1.36 110.415 176.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.7 tp -61.45 -41.75 97.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.602 -0.726 . . . . 0.22 110.355 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.15 -51.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.51 111.849 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -62.32 -36.39 82.03 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.955 -0.298 . . . . 2.69 110.375 -179.155 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.247 -0.433 . . . . 0.27 110.335 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 794' ' ' LEU . 68.0 mt -60.69 -51.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.67 110.781 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -55.8 -50.74 69.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.576 -0.738 . . . . 1.21 111.759 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 19.5 m -65.25 -45.56 84.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.29 111.413 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -68.13 -43.5 78.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.457 0.54 . . . . 1.95 112.457 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 25.0 mt -61.71 -56.12 19.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 C-N-CA 120.876 -0.33 . . . . 1.56 110.619 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.422 ' CB ' HD21 ' A' ' 807' ' ' ASN . 67.8 m -165.17 128.06 2.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 2.88 110.671 176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -90.34 0.04 57.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.177 -0.465 . . . . 5.02 110.152 173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 6.9 p -80.52 -104.98 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.593 -0.73 . . . . 5.49 110.948 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -158.7 123.02 4.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.03 0.443 . . . . 6.49 111.361 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.422 HD21 ' CB ' ' A' ' 803' ' ' SER . 3.4 p30 178.78 -49.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.371 -0.831 . . . . 5.72 109.676 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.594 ' HB2' ' HA ' ' A' ' 812' ' ' PRO . 44.2 p-10 -161.63 41.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.498 0.666 . . . . 5.77 109.897 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -79.93 -23.52 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.271 -0.877 . . . . 3.06 110.605 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.22 -51.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.326 -0.62 . . . . 3.44 109.326 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 24.7 m -149.52 134.43 9.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.119 -0.946 . . . . 1.89 108.985 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.594 ' HA ' ' HB2' ' A' ' 808' ' ' ASN . 3.7 Cg_exo -75.36 58.44 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.828 2.352 . . . . 0.88 111.829 -177.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 813' ' ' ILE . 11.6 mm 66.63 0.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.281 -0.872 . . . . 1.67 111.223 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.442 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 30.8 p 53.96 25.75 5.69 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.324 0.65 . . . . 1.9 110.491 -174.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 814' ' ' THR . 3.4 tppt? -144.18 40.95 1.37 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.022 -0.535 . . . . 2.52 110.431 -172.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 812' ' ' PRO . 33.4 pt -73.39 154.03 7.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.692 -0.685 . . . . 1.06 110.981 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 37.2 tttp -125.77 143.59 50.99 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 106.605 -1.628 . . . . 1.35 106.605 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 6.8 p90 -126.49 145.29 50.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.693 0.759 . . . . 0.3 110.27 -169.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.98 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.67 147.7 50.76 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.863 -1.517 . . . . 1.08 109.689 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.451 ' HB2' ' HE1' ' A' ' 840' ' ' MET . 5.3 t70 -123.79 143.6 50.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.92 -0.771 . . . . 1.73 108.92 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.3 tp10 -45.8 -35.76 4.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.531 -0.759 . . . . 3.38 112.485 -171.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.69 -39.87 68.56 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.133 0.492 . . . . 5.63 110.9 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 123.96 53.78 0.19 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.665 -0.698 . . . . 1.39 111.395 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.556 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 41.6 t0 -128.73 144.92 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.262 -0.175 . . . . 1.47 110.713 -176.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 5.7 m-85 -128.11 126.8 41.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.111 0.482 . . . . 1.16 110.304 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 58.7 t -147.07 148.91 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.993 -1.114 . . . . 1.35 107.993 -176.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.49 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 12.3 p -123.35 137.38 56.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.722 -0.844 . . . . 1.22 108.722 -174.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.34 153.61 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.217 0.821 . . . . 1.03 113.217 -164.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.87 38.64 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.585 -1.188 . . . . 1.2 111.791 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 9.8 m -156.19 29.18 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.633 0.235 . . . . 1.93 111.633 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 65.45 -59.92 0.27 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.566 0.95 . . . . 1.79 113.566 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 835' ' ' ASN . 13.2 tp10 -61.59 -32.6 72.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.909 0.385 . . . . 2.93 111.254 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.55 -42.51 95.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 2.14 111.033 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.538 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 27.4 t-105 -67.42 -38.27 84.33 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.486 -0.486 . . . . 0.26 109.843 172.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 59.0 m-20 -57.33 -48.53 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 2.0 111.225 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.66 -36.14 76.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.974 -0.29 . . . . 1.36 110.831 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.52 -45.48 93.69 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.681 -0.407 . . . . 0.19 110.447 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.878 ' HD2' HG22 ' A' ' 788' ' ' VAL . 48.2 mtmt -59.47 -45.19 92.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.297 . . . . 1.22 110.331 176.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 96.8 mt-10 -58.42 -46.89 85.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.021 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 820' ' ' ASP . 39.7 ttp -52.71 -51.29 61.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.55 -0.75 . . . . 0.76 110.606 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 50.3 mt -60.17 -52.84 63.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.866 -0.606 . . . . 0.62 111.394 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.73 85.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.229 0.455 . . . . 0.61 112.229 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.19 -52.9 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 2.92 111.165 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.6 m-80 -66.01 -34.81 78.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.914 -0.584 . . . . 1.53 110.83 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 98.0 -13.35 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.77 1.294 . . . . 1.9 109.888 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.22 141.07 49.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.97 109.577 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.695 ' HD2' HD21 ' A' ' 784' ' ' LEU . 20.3 ttmm -125.82 -13.03 6.47 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.029 0.442 . . . . 2.4 110.655 -170.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.599 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.5 t80 -66.23 124.83 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.497 -0.774 . . . . 0.54 110.286 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 819' ' ' GLN . 31.8 tp -128.51 140.85 51.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.785 -0.643 . . . . 0.56 109.407 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.98 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.1 m-80 -130.32 146.55 51.92 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.597 -0.89 . . . . 0.96 108.597 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.64 124.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.182 -0.673 . . . . 0.35 109.182 -175.185 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.654 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.3 ttt180 -99.91 116.37 31.81 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 115.773 -0.649 . . . . 2.38 109.97 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.73 57.26 2.49 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.661 -0.7 . . . . 1.56 109.89 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.392 -0.813 . . . . 1.77 111.114 -174.728 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.223 -0.288 . . . . 3.17 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 55.46 45.92 24.21 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.329 1.061 . . . . 3.25 108.483 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -177.67 133.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 112.871 -1.968 . . . . 0.75 109.239 -176.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 12.0 t80 -150.15 146.71 27.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.746 -1.205 . . . . 0.52 107.746 -172.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.7 t -126.27 130.37 50.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.412 0.625 . . . . 1.39 110.497 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.8 tp -150.08 147.08 27.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.346 -1.297 . . . . 0.83 108.903 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.5 tt -126.45 115.69 19.97 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.417 -0.586 . . . . 1.53 109.417 -174.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.644 HG11 ' HH2' ' A' ' 834' ' ' TRP . 16.5 m -71.94 135.91 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.126 -0.943 . . . . 1.1 110.981 -174.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -121.89 -78.83 0.6 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.569 -0.453 . . . . 3.06 111.247 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 44.45 0.68 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.147 0.425 . . . . 1.8 112.147 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.7 t 43.47 63.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 123.629 0.58 . . . . 1.7 111.309 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 34.2 m0 -51.16 131.29 27.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.115 -0.948 . . . . 0.5 112.333 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -83.74 42.08 0.83 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.201 0.524 . . . . 2.06 110.718 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.511 ' HD1' HD23 ' A' ' 794' ' ' LEU . 16.1 t80 71.76 -47.67 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.019 0.928 . . . . 0.47 111.47 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 796' ' ' MET . 38.4 t70 -57.58 -45.29 85.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.769 0.319 . . . . 1.86 110.416 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 18.2 m-20 -61.51 -47.52 85.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.708 -0.678 . . . . 1.36 110.321 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.5 tp -57.46 -48.92 77.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.711 -1.131 . . . . 0.22 110.703 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 795' ' ' ILE . 33.7 mm -64.08 -36.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.693 0.257 . . . . 0.51 111.693 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.5 mtp -58.09 -48.43 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.203 -0.295 . . . . 2.69 110.203 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.6 98.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.27 110.782 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 794' ' ' LEU . 36.3 mm -54.26 -57.53 5.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.747 -0.661 . . . . 0.67 110.895 177.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 68.9 m-20 -65.3 -43.54 90.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.424 -0.807 . . . . 1.21 112.218 -174.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' SER . . . . . 0.622 ' O ' ' HB2' ' A' ' 804' ' ' ASN . 68.8 m -60.48 -44.98 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 1.29 111.131 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -68.91 -40.35 79.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.084 -0.385 . . . . 1.95 111.85 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 798' ' ' ILE . 78.8 mt -65.28 -47.26 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 111.914 0.339 . . . . 1.56 111.914 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.5 m -152.22 67.4 0.85 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.447 0.536 . . . . 2.88 112.447 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.622 ' HB2' ' O ' ' A' ' 800' ' ' SER . 49.6 t30 -75.19 -38.09 60.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.961 0.41 . . . . 5.02 110.883 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 14.1 t -79.88 26.06 0.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.421 0.629 . . . . 5.49 111.264 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.407 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 86.5 m-70 -154.05 -148.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.113 -1.069 . . . . 6.49 108.113 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 61.8 m-80 -77.4 133.71 38.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.638 -1.245 . . . . 5.72 107.638 168.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 37.9 m-20 -75.09 50.82 0.49 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 111.829 0.307 . . . . 5.77 111.829 -173.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.45 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 5.0 m-80 66.08 -47.18 0.41 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 3.06 113.309 175.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 49.9 mm 77.36 -53.42 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.563 0.745 . . . . 3.44 109.485 -172.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.465 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 36.7 p -159.4 135.42 6.22 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 114.969 -1.014 . . . . 1.89 108.599 173.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 11.3 Cg_exo -73.63 53.68 2.78 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 123.158 2.572 . . . . 0.88 111.62 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 813' ' ' ILE . 32.5 mm 60.72 24.29 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.788 0.804 . . . . 1.67 109.624 -177.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.483 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 43.2 p 50.53 25.81 2.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.978 -1.01 . . . . 1.9 111.43 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 814' ' ' THR . 0.0 OUTLIER -128.89 116.1 18.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.67 -0.696 . . . . 2.52 109.963 -176.401 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 827' ' ' VAL . 5.7 pt -149.62 143.27 17.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.597 0.713 . . . . 1.06 111.127 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.84 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.4 mtpt -127.43 146.52 50.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.892 -1.049 . . . . 1.35 108.661 175.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.7 p90 -126.66 145.29 50.63 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.348 0.594 . . . . 0.3 110.326 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.983 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 14.0 tt0 -128.62 146.0 50.98 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.586 -1.188 . . . . 1.08 110.136 -172.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -124.9 138.79 54.23 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.914 -0.402 . . . . 1.73 109.914 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 53.78 24.89 4.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.376 -1.284 . . . . 3.38 112.042 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.517 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 23.6 t70 50.12 47.02 24.12 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.669 0.606 . . . . 5.63 110.941 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.57 -29.37 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.879 -1.153 . . . . 1.39 113.703 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 43.3 t0 -128.0 146.16 50.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.061 0.43 . . . . 1.47 110.213 -177.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.695 ' HD2' ' HE2' ' A' ' 817' ' ' LYS . 0.2 OUTLIER -125.25 132.96 52.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.543 0.687 . . . . 1.16 110.564 -176.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.08 149.17 14.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 113.696 -1.593 . . . . 1.35 108.464 -172.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.84 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.6 p -123.03 142.6 39.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.342 -0.849 . . . . 1.22 110.553 -168.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -128.65 157.91 40.0 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.201 -0.908 . . . . 1.03 110.541 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.31 -27.21 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.613 -0.804 . . . . 1.2 112.692 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 62.2 m -87.79 20.4 3.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.564 -0.374 . . . . 1.93 111.336 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 21.8 t70 69.76 -53.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.669 0.788 . . . . 1.79 112.675 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 836' ' ' VAL . 48.7 tp10 -53.6 -37.95 63.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.924 0.392 . . . . 2.93 111.235 -177.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -52.98 -40.9 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 2.14 110.78 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.644 ' HH2' HG11 ' A' ' 785' ' ' VAL . 29.1 t-105 -64.53 -44.39 91.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.26 111.212 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.473 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 36.9 t30 -61.59 -36.65 81.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.697 -0.483 . . . . 2.0 109.697 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 832' ' ' GLU . 57.3 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 1.36 110.567 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.564 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.82 -46.84 88.97 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.669 -0.241 . . . . 0.19 110.978 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.499 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 48.6 mtmt -56.66 -50.66 71.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.58 0.229 . . . . 1.22 111.091 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.33 -40.11 93.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.173 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 40.3 ttp -54.39 -56.79 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.705 -0.68 . . . . 0.76 110.551 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 13.0 mt -61.31 -58.17 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.62 111.593 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.59 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.491 -0.777 . . . . 0.61 112.503 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.73 -53.24 23.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.907 -0.317 . . . . 2.92 111.522 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 73.5 m-20 -69.47 -58.31 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.359 -0.536 . . . . 1.53 112.344 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 3.8 p30 164.99 -29.81 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.287 0.367 . . . . 1.9 110.927 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' ' 844' ' ' ASN . 45.8 mp0 -60.23 168.82 1.83 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.736 -0.665 . . . . 2.97 112.301 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -162.78 -31.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 2.4 110.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -65.35 124.83 23.28 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.018 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.0 tp -128.55 143.79 51.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.317 0.58 . . . . 0.56 110.334 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.983 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 29.3 m120 -128.96 145.4 51.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.635 -0.711 . . . . 0.96 109.142 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.75 130.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.003 -0.369 . . . . 0.35 110.003 -171.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.603 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 58.4 ttt180 -107.45 132.78 52.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.41 -0.516 . . . . 2.38 111.127 175.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.79 140.74 34.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.481 -1.303 . . . . 1.56 107.481 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 22.7 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.46 -0.781 . . . . 1.77 110.605 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 47.9 m . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.756 0.312 . . . . 3.17 111.092 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 39.6 mt-10 -62.99 127.97 33.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.158 -0.682 . . . . 3.25 109.158 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -106.8 130.62 58.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.509 0.671 . . . . 0.75 110.253 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.694 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.9 t80 -128.65 146.42 50.87 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.012 -0.994 . . . . 0.52 108.878 -177.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 65.2 m -126.79 126.3 43.16 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.179 0.514 . . . . 1.39 109.967 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 784' ' ' LEU . 33.9 tp -150.21 145.84 26.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.563 -1.199 . . . . 0.83 109.213 -170.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.801 HD23 ' HE3' ' A' ' 847' ' ' LYS . 8.0 mp -128.16 129.52 46.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.232 -0.655 . . . . 1.53 109.232 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -63.93 122.0 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.627 -0.715 . . . . 1.1 111.355 -171.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.02 -45.87 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.727 -1.124 . . . . 3.06 111.606 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -140.64 53.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.42 . . . . 1.8 110.476 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 78.5 t 72.1 -52.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.393 -0.821 . . . . 1.7 111.631 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 49.8 m0 68.66 115.21 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.67 0.606 . . . . 0.5 111.879 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -80.28 41.14 0.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.763 -0.653 . . . . 2.06 111.359 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.6 t80 70.73 -48.59 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.86 0.864 . . . . 0.47 111.29 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.586 ' O ' ' HG3' ' A' ' 796' ' ' MET . 50.3 m-20 -61.45 -43.93 98.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.725 -0.216 . . . . 1.86 110.489 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.43 -46.49 89.83 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.317 0.58 . . . . 1.36 110.697 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.2 tp -59.02 -48.08 82.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.855 -1.066 . . . . 0.22 110.669 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 798' ' ' ILE . 21.7 mm -66.56 -36.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 111.813 0.301 . . . . 0.51 111.813 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 91.7 mtp -57.78 -45.51 85.9 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.944 -0.391 . . . . 2.69 109.944 176.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.29 94.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.749 -0.659 . . . . 0.27 110.337 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 802' ' ' ILE . 20.4 mm -53.93 -53.93 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.458 -0.792 . . . . 0.67 111.225 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -63.95 -44.92 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 1.21 111.446 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.5 t -64.31 -52.75 56.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.278 -0.419 . . . . 1.29 111.135 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.97 -48.73 62.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.43 0.53 . . . . 1.95 112.43 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.702 HD13 HD21 ' A' ' 853' ' ' LEU . 75.6 mt -68.79 -59.84 3.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.69 0.281 . . . . 1.56 111.039 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.1 m -82.2 42.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.209 0.528 . . . . 2.88 110.676 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.224 -0.898 . . . . 5.02 110.371 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 4.9 p -69.95 -44.38 69.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.155 -0.93 . . . . 5.49 111.15 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 807' ' ' ASN . 31.5 m170 -76.88 -40.83 46.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 6.49 111.131 -177.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 806' ' ' HIS . 75.3 m-80 74.49 26.04 1.55 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 5.72 110.311 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 51.0 p-10 178.08 140.1 0.09 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.102 -1.408 . . . . 5.77 108.04 174.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.441 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 10.6 t-20 -145.11 -42.07 0.23 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.333 -0.547 . . . . 3.06 111.439 -172.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 46.7 mm 75.57 -49.3 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.433 0.693 . . . . 3.44 111.608 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 67.4 p -162.07 132.41 3.51 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.176 -0.466 . . . . 1.89 110.084 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 813' ' ' ILE . 2.6 Cg_endo -82.21 55.2 5.3 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.754 2.97 . . . . 0.88 111.273 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.807 HG23 ' HG2' ' A' ' 815' ' ' LYS . 3.0 tp 66.57 -1.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.301 1.04 . . . . 1.67 112.34 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 43.8 p 64.3 -15.18 0.08 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.859 1.264 . . . . 1.9 113.019 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.807 ' HG2' HG23 ' A' ' 813' ' ' ILE . 1.4 mmpt? -84.51 45.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.69 -0.485 . . . . 2.52 109.69 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 828' ' ' LEU . 38.6 pt -76.86 148.6 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.671 0.748 . . . . 1.06 110.897 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 31.9 ttmt -127.35 141.77 51.61 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.859 -1.163 . . . . 1.35 107.859 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.701 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.9 p90 -127.99 146.24 50.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.185 0.516 . . . . 0.3 109.949 -172.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.75 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -128.03 145.85 50.86 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.943 -1.026 . . . . 1.08 110.66 -172.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.588 ' HB2' ' HE3' ' A' ' 840' ' ' MET . 19.7 t0 -125.75 140.71 52.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.874 -0.603 . . . . 1.73 109.672 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 821' ' ' GLU . 23.9 tt0 61.06 12.39 3.96 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.235 -0.893 . . . . 3.38 111.228 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.404 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.0 t70 56.75 52.54 9.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 5.63 109.989 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -165.1 -17.5 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.156 -1.021 . . . . 1.39 114.617 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 22.3 t70 -127.54 145.97 50.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.559 0.679 . . . . 1.47 109.981 -178.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.69 133.07 52.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.493 0.664 . . . . 1.16 111.426 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.682 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 32.4 t -138.56 148.81 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.831 -1.077 . . . . 1.35 108.838 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.806 HG22 ' HG3' ' A' ' 817' ' ' LYS . 45.7 t -122.68 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 108.83 -0.804 . . . . 1.22 108.83 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.701 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -130.77 148.13 52.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.565 -0.743 . . . . 1.03 111.36 -172.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -139.44 -42.02 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.487 -1.445 . . . . 1.2 109.487 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 44.5 t -82.56 141.04 32.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.787 -0.82 . . . . 1.93 108.787 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -63.77 -9.99 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.212 0.449 . . . . 1.79 112.212 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -62.23 -47.37 84.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 2.93 111.172 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.17 -36.81 83.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.204 0.526 . . . . 2.14 109.828 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 36.0 t-105 -64.77 -40.15 94.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.26 110.429 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 21.6 t30 -58.37 -43.91 88.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.628 -0.508 . . . . 2.0 109.628 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.48 -44.88 85.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.211 -0.904 . . . . 1.36 110.69 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.55 -43.11 99.46 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.354 -0.384 . . . . 0.19 111.625 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -58.52 -49.06 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.799 0.333 . . . . 1.22 110.237 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 45.4 mt-10 -61.44 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.865 -0.607 . . . . 2.22 110.171 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.588 ' HE3' ' HB2' ' A' ' 820' ' ' ASP . 50.8 ttp -57.24 -53.48 57.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.504 -0.771 . . . . 0.76 111.273 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.992 ' HG ' ' HA ' ' A' ' 847' ' ' LYS . 3.5 mp -59.34 -50.52 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.204 -0.453 . . . . 0.62 111.552 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.05 -50.33 64.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.61 111.931 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.73 -50.83 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 2.92 111.173 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 69.4 m-80 -67.95 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.142 -0.481 . . . . 1.53 111.454 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.59 -3.83 0.15 Allowed 'General case' 0 N--CA 1.483 1.207 0 O-C-N 124.666 1.229 . . . . 1.9 111.223 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 848' ' ' PHE . 3.0 mm-40 -60.55 -57.22 13.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.872 -0.331 . . . . 2.97 110.674 -175.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.992 ' HA ' ' HG ' ' A' ' 841' ' ' LEU . 37.9 ttpt 67.93 -24.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.182 0.808 . . . . 2.4 113.182 172.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 846' ' ' GLU . 5.4 t80 -62.71 124.78 21.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.312 -0.625 . . . . 0.54 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 0.4 OUTLIER -127.8 138.32 52.69 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.619 0.724 . . . . 0.56 109.624 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.75 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 21.9 m120 -128.06 145.64 50.93 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.02 -1.104 . . . . 0.96 108.02 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.694 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.59 124.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 109.292 -0.633 . . . . 0.35 109.292 -170.78 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.855 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 60.0 ttt180 -110.23 123.46 49.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.927 -0.579 . . . . 2.38 111.222 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 802' ' ' ILE . 2.2 mm? -101.05 122.99 44.53 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.407 -1.331 . . . . 1.56 107.407 169.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.447 -0.787 . . . . 1.77 110.486 -172.81 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.002 0.429 . . . . 3.17 110.693 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.29 121.35 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.496 . . . . 3.25 110.071 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -74.3 137.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.529 0.68 . . . . 0.75 110.068 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.572 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -127.64 144.32 51.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.243 -1.021 . . . . 0.52 108.243 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.4 t -126.85 131.98 51.08 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.253 -0.647 . . . . 1.39 109.253 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 784' ' ' LEU . 15.2 tp -150.1 146.42 26.91 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.607 -1.178 . . . . 0.83 109.397 -166.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 783' ' ' LEU . 9.1 mp -126.49 119.58 27.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.418 -0.586 . . . . 1.53 109.418 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.569 HG11 ' HH2' ' A' ' 834' ' ' TRP . 27.5 m -70.37 61.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.615 -1.175 . . . . 1.1 113.545 -168.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 68.4 mm-40 -60.27 146.28 44.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.309 -0.859 . . . . 3.06 110.871 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 786' ' ' GLU . 34.2 pttt 62.05 2.4 0.79 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.166 0.986 . . . . 1.8 112.846 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 60.2 t 60.55 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.612 0.72 . . . . 1.7 111.423 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 15.8 m0 -70.38 135.1 48.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.259 -0.882 . . . . 0.5 111.344 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 40.5 t30 -68.44 -43.07 77.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.355 -0.538 . . . . 2.06 110.523 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 170.05 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.479 -1.237 . . . . 0.47 110.056 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -62.06 -36.29 81.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.764 -0.458 . . . . 1.86 109.764 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.5 OUTLIER -61.11 -42.22 98.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.303 0.573 . . . . 1.36 110.19 176.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.501 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 0.9 OUTLIER -65.89 -44.28 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 0.22 110.04 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.74 -42.72 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.51 110.767 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 0.3 OUTLIER -61.04 -42.93 99.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.531 -0.304 . . . . 2.69 111.431 177.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.88 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.27 110.241 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.8 -50.74 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.513 -0.767 . . . . 0.67 110.755 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -59.59 -42.54 92.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.686 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.2 p -68.36 -49.51 59.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.412 -0.358 . . . . 1.29 111.053 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -69.49 -53.78 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.087 0.402 . . . . 1.95 112.087 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 29.7 mt -71.16 119.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.56 110.267 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.5 m -158.06 36.79 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 2.88 110.035 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -59.51 -35.02 73.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.501 -0.772 . . . . 5.02 109.849 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 20.1 m -81.28 135.91 35.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.103 -0.953 . . . . 5.49 110.049 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -72.97 50.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 6.49 111.997 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -154.08 35.43 0.43 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.564 -0.902 . . . . 5.72 108.564 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 55.55 -117.23 1.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.882 -1.053 . . . . 5.77 109.407 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -170.91 121.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 3.06 110.585 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.7 mp -97.35 -42.55 11.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 3.44 109.397 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 68.9 m -143.51 137.11 14.24 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.276 -0.874 . . . . 1.89 109.782 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.8 Cg_exo -76.17 66.55 7.0 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.597 2.865 . . . . 0.88 111.413 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 814' ' ' THR . 46.9 mm 71.47 -82.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 1.67 109.364 -172.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 813' ' ' ILE . 0.7 OUTLIER 160.0 -47.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.431 1.492 . . . . 1.9 109.049 171.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 0.8 OUTLIER -78.88 60.17 2.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.59 -0.732 . . . . 2.52 110.492 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.509 HD11 HD11 ' A' ' 828' ' ' LEU . 26.1 pt -65.17 144.52 14.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.517 0.675 . . . . 1.06 110.711 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.888 ' HE3' ' HB3' ' A' ' 825' ' ' PHE . 40.3 tttp -126.45 137.74 53.44 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 107.222 -1.399 . . . . 1.35 107.222 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.777 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.1 p90 -126.55 145.65 50.44 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.298 0.57 . . . . 0.3 110.301 -171.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.032 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.3 tt0 -128.84 142.61 50.91 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 113.893 -1.503 . . . . 1.08 109.426 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -126.55 137.94 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.022 0.439 . . . . 1.73 111.449 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.533 ' HB2' ' HG2' ' A' ' 846' ' ' GLU . 16.3 tp10 45.47 37.42 3.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.837 -1.529 . . . . 3.38 111.447 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.504 ' HA ' ' OE1' ' A' ' 819' ' ' GLN . 33.2 t0 50.54 52.26 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.173 -0.921 . . . . 5.63 111.61 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -154.95 -38.06 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 119.324 -1.417 . . . . 1.39 115.068 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 27.5 t70 -127.88 148.54 50.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.788 0.794 . . . . 1.47 111.69 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.888 ' HB3' ' HE3' ' A' ' 817' ' ' LYS . 13.7 m-85 -124.09 136.5 54.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.57 0.7 . . . . 1.16 111.218 -172.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 42.6 t -145.6 149.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.368 -1.287 . . . . 1.35 108.93 -175.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.574 HG22 ' HG3' ' A' ' 817' ' ' LYS . 79.6 t -122.76 128.86 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.957 -0.757 . . . . 1.22 108.957 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.777 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.4 pp -128.63 150.51 50.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.706 -0.679 . . . . 1.03 111.033 -171.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -160.21 35.12 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.521 -1.432 . . . . 1.2 109.521 174.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.1 m -160.33 141.64 12.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.87 -1.165 . . . . 1.93 107.918 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -51.27 -40.3 58.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.989 -0.55 . . . . 1.79 112.348 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.64 -45.1 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.472 0.545 . . . . 2.93 112.472 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 828' ' ' LEU . 12.7 t0 -63.64 -37.81 88.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.185 0.517 . . . . 2.14 110.355 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.569 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.5 t-105 -67.54 -43.26 81.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.96 -0.563 . . . . 0.26 109.807 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.86 -46.93 84.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 2.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.06 -36.24 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 121.164 -0.214 . . . . 1.36 110.694 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.27 -46.38 88.68 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.414 -0.217 . . . . 0.19 110.414 176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 23.2 mtmm -58.76 -46.88 86.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 121.032 -0.267 . . . . 1.22 110.506 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.59 -43.83 84.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.094 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -55.41 -52.4 63.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.76 110.731 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.23 -57.79 10.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 0.62 111.465 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.38 80.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.758 0.651 . . . . 0.61 112.758 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.25 -46.72 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.647 -0.251 . . . . 2.92 111.558 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.3 m-80 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.569 -0.452 . . . . 1.53 111.677 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.561 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 14.3 p30 156.4 -27.69 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.758 -0.83 . . . . 1.9 108.758 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 7.8 mt-10 -63.68 157.78 23.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.752 -1.567 . . . . 2.97 113.0 -171.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -147.9 -28.81 0.33 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.559 -0.746 . . . . 2.4 110.065 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.89 124.04 16.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.131 -0.486 . . . . 0.54 110.017 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 819' ' ' GLN . 33.4 tp -129.23 139.69 51.75 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.282 -0.636 . . . . 0.56 109.282 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.032 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 33.7 m120 -128.77 146.7 50.83 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.521 -0.918 . . . . 0.96 108.521 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.572 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.7 OUTLIER -126.1 124.22 65.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 108.97 -0.752 . . . . 0.35 108.97 -175.34 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 69.4 ttt180 -103.35 115.48 30.62 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.835 -0.62 . . . . 2.38 109.716 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.0 mm? -95.62 61.68 2.29 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.938 -0.764 . . . . 1.56 108.938 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.276 -0.869 . . . . 1.77 111.137 -172.557 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 853' ' ' LEU . 52.3 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.278 0.561 . . . . 3.17 110.569 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.53 131.12 4.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.146 -0.933 . . . . 3.25 109.248 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 850' ' ' ASN . 2.4 mm -81.04 138.42 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.681 0.753 . . . . 0.75 110.47 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.7 t80 -126.87 145.45 50.65 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.415 -1.698 . . . . 0.52 106.415 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 24.4 m -125.87 131.15 52.43 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.794 -0.762 . . . . 1.39 110.446 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.414 HD22 HG12 ' A' ' 798' ' ' ILE . 44.2 tp -150.42 146.87 26.94 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.486 -1.234 . . . . 0.83 109.502 -171.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.39 120.26 29.37 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.171 -0.677 . . . . 1.53 109.171 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.625 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.0 t -65.75 101.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.616 -1.175 . . . . 1.1 111.157 -170.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.1 -46.75 64.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.841 -1.072 . . . . 3.06 112.507 -170.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 20.8 pttp -141.51 49.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.592 -0.443 . . . . 1.8 111.592 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 838' ' ' LYS . 53.8 t 70.04 -55.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.996 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.625 ' CE3' HG13 ' A' ' 785' ' ' VAL . 43.9 m0 71.09 137.0 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.568 0.699 . . . . 0.5 112.128 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -91.16 36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.941 -0.572 . . . . 2.06 109.847 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.603 ' HD1' HD23 ' A' ' 794' ' ' LEU . 17.5 t80 71.18 -47.09 0.65 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.751 0.82 . . . . 0.47 111.095 -176.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 796' ' ' MET . 44.3 m-20 -60.12 -41.09 91.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 1.86 110.337 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 789' ' ' TRP . 2.5 m-20 -63.75 -43.4 96.54 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.487 0.661 . . . . 1.36 109.848 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.603 HD23 ' HD1' ' A' ' 791' ' ' PHE . 7.3 tp -61.11 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.22 110.165 178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.608 HG23 ' HD3' ' A' ' 812' ' ' PRO . 23.3 mm -57.25 -48.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.51 111.01 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 23.0 mmt -64.03 -43.18 96.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 2.69 111.213 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.19 82.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.578 -0.283 . . . . 0.27 110.393 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.595 ' O ' HG13 ' A' ' 802' ' ' ILE . 76.5 mt -59.93 -51.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.67 110.469 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -56.0 -51.33 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.058 -0.519 . . . . 1.21 112.101 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.9 t -63.48 -44.71 93.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.457 . . . . 1.29 110.396 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -68.16 -37.03 80.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.61 . . . . 1.95 111.715 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 798' ' ' ILE . 31.7 mt -56.54 -47.96 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 120.586 0.232 . . . . 1.56 110.406 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 6.7 t -174.3 122.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.072 -0.513 . . . . 2.88 109.812 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -77.7 52.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.356 0.598 . . . . 5.02 109.755 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 14.3 t -97.86 -30.25 12.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.401 -0.818 . . . . 5.49 111.271 -172.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.1 m170 68.75 57.4 0.42 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.498 0.555 . . . . 6.49 112.498 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -154.43 -56.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.553 . . . . 5.72 109.977 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -88.27 39.14 0.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.708 -0.479 . . . . 5.77 109.708 173.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -123.42 31.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 3.06 110.643 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 42.5 mm -84.97 -47.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.213 -1.032 . . . . 3.44 108.213 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 3.4 t -152.07 135.51 9.49 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 113.813 -1.54 . . . . 1.89 107.257 171.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 795' ' ' ILE . 9.7 Cg_exo -73.94 43.89 0.89 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 122.827 2.351 . . . . 0.88 112.49 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 816' ' ' ILE . 50.3 mm 68.59 108.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 O-C-N 123.974 0.796 . . . . 1.67 109.574 -175.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -17.49 63.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.244 -0.434 . . . . 1.9 111.553 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 46.86 1.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.024 -0.535 . . . . 2.52 110.187 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 813' ' ' ILE . 1.4 pt -87.36 153.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.452 0.644 . . . . 1.06 110.311 177.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 57.1 mttt -127.53 147.0 50.33 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.898 -1.046 . . . . 1.35 108.807 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 2.8 p90 -125.29 143.52 50.92 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.604 0.716 . . . . 0.3 109.486 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.004 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 13.1 tt0 -128.54 147.31 50.69 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 113.547 -1.661 . . . . 1.08 109.081 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -124.46 145.77 49.32 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.843 -0.799 . . . . 1.73 108.843 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 44.2 tt0 -42.09 -34.71 0.77 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.103 0.877 . . . . 3.38 112.505 -172.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.72 -35.42 63.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.24 0.543 . . . . 5.63 110.997 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 111.46 54.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.625 -0.99 . . . . 1.39 110.625 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 29.2 t70 -128.11 145.71 50.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.278 . . . . 1.47 110.478 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.462 ' HE1' ' HB2' ' A' ' 852' ' ' ARG . 2.7 m-85 -126.4 129.96 49.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.248 0.547 . . . . 1.16 110.504 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.633 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 52.6 t -145.27 148.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 114.928 -1.033 . . . . 1.35 108.613 -177.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.484 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 8.2 p -123.22 127.87 74.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.678 -0.86 . . . . 1.22 108.678 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.8 pp -128.6 164.12 23.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.008 -0.996 . . . . 1.03 112.277 -166.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 175.39 39.53 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.217 -0.901 . . . . 1.2 112.325 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 33.9 t -143.71 -84.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.966 -0.294 . . . . 1.93 110.947 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 26.5 t0 179.9 -49.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.733 -0.469 . . . . 1.79 109.733 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.19 -37.47 77.47 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.685 -0.689 . . . . 2.93 111.338 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 836' ' ' VAL . 1.3 p30 -61.21 -46.16 91.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.441 -0.799 . . . . 2.14 110.686 176.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.614 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.1 t-105 -65.54 -41.07 93.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.623 . . . . 0.26 110.244 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.467 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 26.5 t-20 -56.39 -48.06 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 2.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 833' ' ' ASP . 32.8 m -65.08 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.677 -0.409 . . . . 1.36 111.002 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -46.18 90.69 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.768 -0.373 . . . . 0.19 110.48 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.671 ' HD2' HG13 ' A' ' 788' ' ' VAL . 51.4 mtmt -59.57 -45.96 90.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 1.22 111.069 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -57.83 -47.32 83.0 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.898 -0.408 . . . . 2.22 109.898 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 39.3 ttp -51.15 -57.27 9.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.76 111.188 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.01 -57.38 13.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.62 111.839 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.63 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.711 0.634 . . . . 0.61 112.711 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.96 -48.87 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.074 -0.25 . . . . 2.92 110.721 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.696 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 44.1 m-20 -69.1 -58.24 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.461 -0.496 . . . . 1.53 111.03 -177.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.696 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 2.9 p30 153.12 -29.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.907 0.883 . . . . 1.9 109.989 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -66.5 163.63 18.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.469 0.652 . . . . 2.97 112.416 -170.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.571 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 75.8 tttt -146.59 -11.88 0.46 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.275 -0.875 . . . . 2.4 110.55 -175.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 6.5 t80 -67.31 123.89 21.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.052 -0.351 . . . . 0.54 110.052 178.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 819' ' ' GLN . 20.4 tp -129.61 139.95 51.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.565 -0.743 . . . . 0.56 109.57 178.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.004 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.5 m-80 -128.36 146.36 50.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.384 -0.969 . . . . 0.96 108.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.616 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -126.59 124.12 64.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 109.41 -0.589 . . . . 0.35 109.41 -174.379 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -99.17 119.49 37.95 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 120.75 -0.38 . . . . 2.38 110.915 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 778' ' ' SER . 2.6 mm? -93.21 140.67 29.28 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.082 -1.451 . . . . 1.56 107.082 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.542 ' HD2' ' HD3' ' A' ' 852' ' ' ARG . 23.4 p90 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.996 -0.526 . . . . 1.77 110.648 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 119.133 -0.46 . . . . 3.17 110.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 39.54 47.08 1.56 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-O 122.383 1.087 . . . . 3.25 110.604 -173.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.453 HD13 ' H ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER 171.73 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 CA-C-N 112.863 -1.971 . . . . 0.75 108.779 -177.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.573 ' HD2' HG13 ' A' ' 851' ' ' ILE . 13.1 t80 -149.28 145.62 27.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.092 -1.447 . . . . 0.52 107.092 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 86.2 m -126.39 127.19 45.08 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.215 0.531 . . . . 1.39 109.97 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.93 146.56 27.13 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.033 -1.44 . . . . 0.83 109.683 -166.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.4 mp -126.76 121.38 31.81 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.676 -0.861 . . . . 1.53 108.676 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.829 HG23 ' CE3' ' A' ' 789' ' ' TRP . 4.5 p -67.14 112.27 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.735 -0.666 . . . . 1.1 110.44 -172.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.41 -49.33 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.878 -1.056 . . . . 3.06 112.392 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 788' ' ' VAL . 0.0 OUTLIER -126.71 45.13 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.93 -0.308 . . . . 1.8 110.934 -177.352 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER 71.39 -41.73 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 123.886 0.874 . . . . 1.7 112.556 177.279 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.829 ' CE3' HG23 ' A' ' 785' ' ' VAL . 53.5 m0 61.02 115.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.311 0.856 . . . . 0.5 113.311 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -84.25 44.94 1.06 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.511 -0.768 . . . . 2.06 110.483 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.484 ' HB2' ' HD1' ' A' ' 834' ' ' TRP . 46.8 t80 68.77 -54.22 0.55 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.164 0.986 . . . . 0.47 112.365 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.28 -37.53 75.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.453 0.644 . . . . 1.86 109.702 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -64.48 -46.44 82.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.744 -1.117 . . . . 1.36 110.205 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 798' ' ' ILE . 3.4 tp -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.976 -1.011 . . . . 0.22 110.331 177.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.58 -53.52 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.51 111.758 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -62.43 -36.26 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.135 -0.226 . . . . 2.69 110.651 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.31 90.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.377 -0.374 . . . . 0.27 110.274 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 794' ' ' LEU . 69.9 mt -59.98 -49.11 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.743 -0.662 . . . . 0.67 110.748 175.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -57.61 -48.28 79.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 1.21 111.45 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 33.6 m -68.2 -43.87 77.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.24 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 44.8 tttm -68.26 -47.37 67.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.95 111.541 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.676 HG22 HG22 ' A' ' 805' ' ' THR . 9.7 mt -78.25 77.44 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.595 0.712 . . . . 1.56 110.312 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 807' ' ' ASN . 13.4 m -78.58 -29.53 46.22 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.399 -0.819 . . . . 2.88 111.13 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -57.86 -52.27 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.841 0.682 . . . . 5.02 112.841 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 802' ' ' ILE . 3.8 t -64.51 -44.66 90.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.25 0.463 . . . . 5.49 112.25 -173.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.516 ' HB2' ' OD1' ' A' ' 809' ' ' ASN . 90.7 m-70 -150.41 -35.74 0.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.506 -0.121 . . . . 6.49 110.961 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.559 ' HA ' ' HA ' ' A' ' 803' ' ' SER . 36.6 t30 75.4 -66.85 0.27 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.745 -0.661 . . . . 5.72 110.137 -171.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -79.12 56.94 2.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.655 0.74 . . . . 5.77 109.963 171.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' A' ' 806' ' ' HIS . 70.8 m-80 -61.23 -46.58 89.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.828 -1.078 . . . . 3.06 112.365 -173.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 48.2 mm 73.1 -43.89 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.199 0.6 . . . . 3.44 110.622 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.453 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 12.6 p -155.05 128.96 4.59 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.883 -0.599 . . . . 1.89 109.498 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 4.0 Cg_exo -79.89 58.9 7.2 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.368 2.712 . . . . 0.88 111.971 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 815' ' ' LYS . 17.1 mm 73.07 -18.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.515 0.726 . . . . 1.67 111.611 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 13.3 p 71.8 -17.99 0.32 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.654 1.181 . . . . 1.9 110.75 -173.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.781 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -84.84 44.13 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 2.52 111.038 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 23.7 pt -80.66 142.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.252 1.025 . . . . 1.06 111.657 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.723 ' HG3' HG22 ' A' ' 827' ' ' VAL . 39.3 ttmt -126.62 143.37 51.24 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.702 -1.59 . . . . 1.35 106.767 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 4.6 p90 -126.28 145.3 50.47 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.714 0.769 . . . . 0.3 110.166 -172.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.954 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.31 147.71 50.63 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.76 -1.564 . . . . 1.08 108.663 -173.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -123.95 145.33 49.23 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.427 -0.583 . . . . 1.73 109.427 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.802 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.0 tp10 -44.84 -35.74 2.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.65 -1.159 . . . . 3.38 111.783 -172.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -53.21 -48.59 68.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.729 -0.669 . . . . 5.63 110.262 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 131.85 54.21 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.893 -0.67 . . . . 1.39 111.986 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.606 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 32.9 t70 -141.94 148.11 38.12 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.712 -0.395 . . . . 1.47 111.7 -171.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 9.3 m-85 -124.04 127.7 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.729 0.776 . . . . 1.16 110.268 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.648 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 38.4 t -138.27 149.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 114.153 -1.385 . . . . 1.35 108.748 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.723 HG22 ' HG3' ' A' ' 817' ' ' LYS . 46.2 t -122.51 134.08 66.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.653 -0.869 . . . . 1.22 108.653 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.9 pp -128.29 150.36 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.357 0.598 . . . . 1.03 112.071 -169.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 170.63 40.08 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.829 -1.078 . . . . 1.2 111.209 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 12.1 t -167.96 37.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.415 0.15 . . . . 1.93 110.793 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 65.87 -61.04 0.28 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.549 0.944 . . . . 1.79 113.549 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 836' ' ' VAL . 6.2 mp0 -57.11 -43.46 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.523 0.564 . . . . 2.93 112.523 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.3 OUTLIER -57.9 -49.63 76.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.126 0.489 . . . . 2.14 110.592 -176.226 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.535 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 9.5 t-105 -63.94 -39.76 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.26 110.413 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.35 -45.25 76.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.623 -0.262 . . . . 2.0 110.763 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 832' ' ' GLU . 92.4 t -58.92 -46.26 91.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.094 -0.503 . . . . 1.36 110.965 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.13 -48.2 82.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.453 -0.34 . . . . 0.19 110.99 177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 15.6 mtpp -56.69 -49.62 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.636 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.26 -41.16 88.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.075 0.464 . . . . 2.22 110.28 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.92 -54.8 42.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.653 -0.703 . . . . 0.76 110.807 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 17.8 mt -58.88 -58.43 8.66 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.62 111.486 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.76 73.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.273 -0.876 . . . . 0.61 112.53 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.27 -48.8 64.07 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.951 0.352 . . . . 2.92 111.951 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.538 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.5 m-20 -68.68 -58.49 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.53 111.664 -174.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 17.1 p30 148.85 -25.95 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.532 1.133 . . . . 1.9 108.321 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.56 147.78 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.03 -1.441 . . . . 2.97 111.494 -174.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -144.4 -24.2 0.53 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.217 -0.447 . . . . 2.4 110.961 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.802 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.5 t80 -62.27 124.14 20.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.825 0.345 . . . . 0.54 110.238 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 819' ' ' GLN . 15.8 tp -132.37 140.62 48.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.56 109.614 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.954 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -128.56 145.33 51.16 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.487 -0.931 . . . . 0.96 108.487 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.1 mm -127.39 124.29 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 0.35 110.104 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 46.1 ttt85 -106.25 125.99 51.67 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 116.382 -0.372 . . . . 2.38 110.245 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.06 -9.04 16.31 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.791 -0.364 . . . . 1.56 110.223 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.437 -1.256 . . . . 1.77 112.914 173.384 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.784 0.326 . . . . 3.17 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.23 133.92 47.52 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.372 -0.603 . . . . 3.25 109.372 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -86.28 136.68 22.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 109.233 -0.654 . . . . 0.75 109.233 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HE2' ' HA ' ' A' ' 798' ' ' ILE . 18.5 t80 -127.25 144.66 51.0 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.485 -0.932 . . . . 0.52 108.485 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 850' ' ' ASN . 56.5 p -127.16 130.1 49.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.133 0.492 . . . . 1.39 109.878 -171.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.2 tp -149.61 145.66 26.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.339 -0.846 . . . . 0.83 109.445 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.82 122.13 31.9 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.809 -0.812 . . . . 1.53 108.809 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.461 ' HA ' ' CH2' ' A' ' 789' ' ' TRP . 2.8 m -68.29 123.82 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 1.1 110.183 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.49 -37.22 85.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 3.06 111.51 -172.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.87 ' HD2' ' H ' ' A' ' 788' ' ' VAL . 0.0 OUTLIER -152.31 -55.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 1.8 111.589 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.87 ' H ' ' HD2' ' A' ' 787' ' ' LYS . 48.9 t -149.06 -66.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.83 -0.168 . . . . 1.7 110.77 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 788' ' ' VAL . 51.5 m0 74.52 127.97 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.749 0.656 . . . . 0.5 110.886 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 790' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 39.3 t30 -70.27 -45.81 65.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.637 0.732 . . . . 2.06 110.126 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 160.74 -43.56 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.066 -1.879 . . . . 0.47 108.245 177.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.44 -41.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.369 -0.832 . . . . 1.86 109.496 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.65 -46.53 84.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.997 -1.001 . . . . 1.36 109.983 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 798' ' ' ILE . 5.6 tp -64.25 -46.56 83.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.414 -1.266 . . . . 0.22 111.128 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.77 -44.05 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.601 -0.272 . . . . 0.51 111.292 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.6 mmt -63.66 -41.97 98.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.475 -0.329 . . . . 2.69 111.329 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.3 93.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.962 0.41 . . . . 0.27 110.121 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.499 ' HA ' ' HE2' ' A' ' 781' ' ' PHE . 68.8 mt -57.35 -52.79 52.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.401 -0.818 . . . . 0.67 110.62 175.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -61.64 -37.09 82.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 1.21 111.854 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 36.4 t -58.67 -52.03 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.869 0.366 . . . . 1.29 110.582 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 804' ' ' ASN . 68.3 mttm -68.99 -39.0 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.459 -0.337 . . . . 1.95 111.851 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.515 HG23 ' HD2' ' A' ' 806' ' ' HIS . 16.2 mt -64.94 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.025 -0.27 . . . . 1.56 110.891 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.9 t -67.32 -30.6 70.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 2.88 110.393 176.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.553 ' HB3' ' O ' ' A' ' 801' ' ' LYS . 24.1 t-20 -57.92 -55.25 37.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.59 -0.732 . . . . 5.02 110.102 177.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 10.9 t -81.51 -32.55 32.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.16 -0.927 . . . . 5.49 110.97 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.515 ' HD2' HG23 ' A' ' 802' ' ' ILE . 88.9 m-70 -100.27 -122.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.588 -0.523 . . . . 6.49 109.588 172.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -171.81 139.06 1.13 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.987 -0.745 . . . . 5.72 108.987 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.13 135.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.801 0.688 . . . . 5.77 110.741 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -76.1 -73.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 3.06 109.988 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 46.5 mm 69.13 -62.07 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.22 1.008 . . . . 3.44 111.204 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 28.5 p 165.13 145.22 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 114.148 -1.387 . . . . 1.89 108.3 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.2 Cg_exo -76.45 51.21 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.534 2.156 . . . . 0.88 111.705 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 815' ' ' LYS . 27.0 mm 68.87 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.438 0.695 . . . . 1.67 111.252 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 812' ' ' PRO . 82.5 p 67.11 -33.29 0.21 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.503 1.521 . . . . 1.9 112.534 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER -79.37 54.22 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.843 0.354 . . . . 2.52 110.711 175.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.628 HD11 HD11 ' A' ' 828' ' ' LEU . 42.3 pt -76.55 143.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.06 111.393 -177.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 27.0 ttpt -127.23 141.27 51.77 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.773 -1.195 . . . . 1.35 107.773 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.671 ' HD2' HD11 ' A' ' 849' ' ' LEU . 20.5 p90 -127.69 146.61 50.51 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.669 0.747 . . . . 0.3 111.466 -167.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.999 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.9 tt0 -127.58 145.63 50.8 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.625 -1.171 . . . . 1.08 109.867 -176.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.3 p30 -126.04 140.47 52.57 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.09 -0.505 . . . . 1.73 109.683 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 43.2 mt-10 59.5 24.15 12.83 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.451 -0.795 . . . . 3.38 110.736 -175.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 2.8 p30 41.9 41.86 2.04 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.327 -0.851 . . . . 5.63 112.452 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -137.53 -30.52 0.25 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.102 -1.047 . . . . 1.39 114.297 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -127.68 146.64 50.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.555 0.677 . . . . 1.47 110.792 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.54 131.88 53.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.465 0.65 . . . . 1.16 110.846 -172.069 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.15 148.56 15.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.139 -1.391 . . . . 1.35 108.775 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.626 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.5 p -122.77 142.76 38.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.263 -0.898 . . . . 1.22 110.75 -168.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.763 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 3.7 pp -128.07 149.21 50.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.314 -0.857 . . . . 1.03 111.497 -168.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.91 35.15 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.718 -0.753 . . . . 1.2 112.533 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.3 p -157.97 36.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.563 0.221 . . . . 1.93 111.369 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 67.37 -59.88 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.487 0.921 . . . . 1.79 113.487 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.02 -29.51 68.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.637 0.256 . . . . 2.93 111.596 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.763 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 6.0 m-20 -57.66 -43.07 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 2.14 110.065 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 17.8 t-105 -68.16 -40.3 82.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.26 110.585 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 838' ' ' LYS . 92.0 m-20 -57.98 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 2.0 110.886 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.1 -36.73 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.283 -0.417 . . . . 1.36 111.142 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.27 -49.01 79.32 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.005 -0.278 . . . . 0.19 111.376 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 31.5 mtmm -58.69 -51.46 69.83 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.8 0.333 . . . . 1.22 110.712 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.56 87.6 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.703 -0.68 . . . . 2.22 110.57 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 41.0 ttp -54.37 -50.35 67.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.76 111.087 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 34.9 mt -59.39 -57.62 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.971 0.415 . . . . 0.62 111.087 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.07 81.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.763 -0.653 . . . . 0.61 112.411 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.83 -47.53 74.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.524 -0.307 . . . . 2.92 111.245 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 47.7 m-20 -68.53 -58.3 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 119.5 -0.286 . . . . 1.53 111.393 -176.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 15.8 p30 161.76 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.757 0.661 . . . . 1.9 111.086 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.696 ' HG3' ' H ' ' A' ' 847' ' ' LYS . 5.9 tp10 -82.59 -158.65 0.27 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.286 0.565 . . . . 2.97 111.662 -169.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.696 ' H ' ' HG3' ' A' ' 846' ' ' GLU . 0.1 OUTLIER -176.06 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.406 -0.816 . . . . 2.4 108.816 -178.661 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -55.48 131.9 47.16 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.343 -0.844 . . . . 0.54 111.143 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.671 HD11 ' HD2' ' A' ' 818' ' ' TYR . 14.6 tp -128.49 145.23 51.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.422 -0.808 . . . . 0.56 110.084 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.999 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.5 m-80 -128.37 145.54 51.04 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.281 -1.007 . . . . 0.96 108.281 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -127.61 130.32 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 C-N-CA 120.749 -0.38 . . . . 0.35 110.121 -174.407 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -107.95 129.68 55.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.149 -0.478 . . . . 2.38 109.893 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 853' ' ' LEU . 2.2 mm? -96.05 133.43 40.3 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.386 -0.968 . . . . 1.56 108.386 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 11.5 p90 . . . . . 0 C--O 1.244 0.781 0 CA-C-O 118.163 -0.923 . . . . 1.77 110.068 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.877 0.37 . . . . 3.17 111.217 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -66.98 132.54 48.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 3.25 110.092 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -97.92 138.49 22.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.365 0.602 . . . . 0.75 110.636 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.556 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.8 t80 -128.32 145.71 50.98 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.069 -1.085 . . . . 0.52 108.069 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.734 HG22 ' ND2' ' A' ' 850' ' ' ASN . 12.8 p -126.56 126.39 43.58 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.794 -0.447 . . . . 1.39 109.794 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 19.7 tp -150.1 146.21 26.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.224 -0.898 . . . . 0.83 109.115 -171.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.5 122.5 35.36 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.251 -0.579 . . . . 1.53 109.684 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 841' ' ' LEU . 22.3 m -70.81 69.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 1.1 111.617 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -50.09 -50.44 48.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.077 -0.965 . . . . 3.06 110.689 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -113.17 149.41 33.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.329 -0.989 . . . . 1.8 108.329 171.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.41 88.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.296 0.57 . . . . 1.7 110.756 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.611 ' CE3' HG12 ' A' ' 785' ' ' VAL . 26.5 m0 -65.3 135.93 55.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.149 -0.932 . . . . 0.5 111.944 -174.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -82.76 42.75 0.8 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 2.06 110.532 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 30.5 t80 67.47 -50.8 0.5 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.219 1.008 . . . . 0.47 112.418 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -60.17 -42.03 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.947 0.403 . . . . 1.86 110.419 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 2.9 m-20 -62.28 -41.96 98.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.644 0.735 . . . . 1.36 110.147 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 798' ' ' ILE . 7.8 tp -63.11 -44.67 95.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.577 -1.192 . . . . 0.22 110.454 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.0 mm -59.34 -45.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.51 111.129 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 85.1 mtp -59.8 -43.91 94.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.393 -0.367 . . . . 2.69 111.024 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.47 97.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.899 0.381 . . . . 0.27 110.758 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.496 ' HA ' ' CE2' ' A' ' 781' ' ' PHE . 81.2 mt -59.15 -52.3 62.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.653 -0.703 . . . . 0.67 110.574 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.503 ' HB3' ' HB3' ' A' ' 809' ' ' ASN . 82.0 m-20 -58.31 -49.3 77.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.581 -0.736 . . . . 1.21 111.926 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.0 p -62.26 -47.87 82.42 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.196 0.443 . . . . 1.29 112.196 -176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.27 -41.82 80.48 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.05 0.389 . . . . 1.95 112.05 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 32.3 mt -71.28 -37.59 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.855 0.317 . . . . 1.56 111.855 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.839 ' HB3' ' HB2' ' A' ' 809' ' ' ASN . 47.1 p -64.75 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.506 0.558 . . . . 2.88 112.506 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 36.1 t30 72.22 -49.93 0.69 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.761 0.824 . . . . 5.02 111.494 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 17.1 p -61.75 -69.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.904 -0.406 . . . . 5.49 109.904 176.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.583 ' O ' ' HB2' ' A' ' 803' ' ' SER . 0.0 OUTLIER -81.98 137.87 35.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.925 -1.034 . . . . 6.49 108.241 165.272 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -63.79 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.281 -0.418 . . . . 5.72 110.546 -172.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.28 121.33 40.92 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.395 0.617 . . . . 5.77 109.971 174.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 803' ' ' SER . 32.9 t-20 -81.45 123.72 28.83 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.304 -0.999 . . . . 3.06 108.304 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 47.9 mm -68.44 -58.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 3.44 110.215 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 64.1 m -166.79 151.6 7.08 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.586 -0.734 . . . . 1.89 109.549 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.1 55.95 4.16 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.346 2.697 . . . . 0.88 110.798 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.771 HG22 HG22 ' A' ' 814' ' ' THR . 47.1 mm 72.53 -61.61 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 114.0 -1.455 . . . . 1.67 109.008 -169.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.771 HG22 HG22 ' A' ' 813' ' ' ILE . 4.0 t 159.34 -33.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.383 -1.28 . . . . 1.9 107.584 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.712 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.4 mmpt? -79.81 127.22 31.96 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.202 -1.363 . . . . 2.52 111.053 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.5 150.16 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.867 0.841 . . . . 1.06 111.452 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 1.103 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.1 mttp -127.72 147.07 50.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.215 -1.357 . . . . 1.35 108.465 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 828' ' ' LEU . 6.2 p90 -126.91 144.67 50.93 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.334 0.588 . . . . 0.3 109.979 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.94 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.2 tt0 -128.66 145.85 51.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.313 -0.858 . . . . 1.08 110.035 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.62 139.1 53.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.114 -0.493 . . . . 1.73 110.186 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 62.63 16.92 9.26 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.061 0.851 . . . . 3.38 110.396 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 28.1 t70 50.59 47.51 24.13 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.15 -0.932 . . . . 5.63 110.953 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -150.77 -29.72 0.05 OUTLIER Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.219 -0.991 . . . . 1.39 113.804 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -127.38 146.9 50.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.325 0.562 . . . . 1.47 109.988 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -124.67 130.5 52.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.793 0.806 . . . . 1.16 111.199 -171.085 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.01 150.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.112 -1.404 . . . . 1.35 108.138 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.989 HG22 ' HG2' ' A' ' 817' ' ' LYS . 21.5 t -122.9 129.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.387 -0.597 . . . . 1.22 109.387 -170.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.767 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.91 151.47 49.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.46 0.648 . . . . 1.03 111.471 -173.743 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -163.41 -35.96 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.025 0 CA-C-N 114.953 -1.021 . . . . 1.2 111.22 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.5 t -75.48 -77.35 0.13 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.74 -0.23 . . . . 1.93 110.66 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -178.41 -51.12 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.818 0.342 . . . . 1.79 110.608 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.688 ' HA ' HD22 ' A' ' 835' ' ' ASN . 23.7 pt-20 -53.91 -39.73 66.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.722 0.638 . . . . 2.93 112.722 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.4 OUTLIER -59.55 -38.7 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.327 0.584 . . . . 2.14 110.387 -175.329 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.645 ' HH2' HG11 ' A' ' 785' ' ' VAL . 39.7 t-105 -68.25 -39.06 82.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.517 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.688 HD22 ' HA ' ' A' ' 832' ' ' GLU . 79.4 m-20 -61.29 -47.8 84.33 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.649 -0.251 . . . . 2.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 833' ' ' ASP . 10.5 m -62.4 -36.38 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 1.36 110.232 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.36 -51.99 67.55 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 121.245 -0.182 . . . . 0.19 111.426 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.513 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 32.6 mtmm -57.11 -47.63 80.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.593 -0.276 . . . . 1.22 110.666 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.15 -48.69 78.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.342 0.592 . . . . 2.22 110.2 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.623 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 37.7 ttp -52.83 -52.93 55.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.803 -1.09 . . . . 0.76 111.392 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 785' ' ' VAL . 20.2 mt -58.21 -54.69 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.395 -0.366 . . . . 0.62 111.205 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.81 93.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.151 0.426 . . . . 0.61 112.151 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.36 -47.41 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 2.92 110.833 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 25.6 m-80 -62.66 -35.25 79.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 1.53 111.271 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.537 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 97.38 -7.55 0.06 Allowed 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.787 1.304 . . . . 1.9 109.7 -176.109 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -77.55 162.0 27.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.37 -0.832 . . . . 2.97 110.774 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.46 ' HG3' HG23 ' A' ' 785' ' ' VAL . 36.2 ttpt -151.6 3.47 0.41 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.899 -0.591 . . . . 2.4 110.147 -177.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.29 124.82 28.52 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.618 -0.512 . . . . 0.54 109.618 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 19.1 tp -128.58 143.84 51.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.547 0.689 . . . . 0.56 109.941 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.94 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 33.0 m120 -128.43 145.34 51.12 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.028 -1.101 . . . . 0.96 108.028 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.43 130.65 70.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.283 -0.636 . . . . 0.35 109.283 -174.316 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 1.103 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 1.9 ttm180 -100.39 136.31 40.47 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 120.453 -0.499 . . . . 2.38 111.361 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 852' ' ' ARG . 2.0 mm? -111.19 136.08 50.79 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.904 -1.044 . . . . 1.56 108.829 167.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.66 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 48.4 p90 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.944 -1.027 . . . . 1.77 109.397 -170.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 71.3 m . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.58 0.228 . . . . 3.17 111.241 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 853' ' ' LEU . 17.4 pm0 -60.73 127.86 33.72 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.088 0.47 . . . . 3.25 110.299 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.866 HD11 ' HB3' ' A' ' 850' ' ' ASN . 9.0 tp -95.13 140.82 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.192 -0.913 . . . . 0.75 110.403 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.521 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.2 t80 -127.28 145.39 50.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.057 -0.974 . . . . 0.52 108.643 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.8 t -126.75 129.19 47.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.124 0.488 . . . . 1.39 110.153 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 849' ' ' LEU . 21.8 tp -150.52 146.41 26.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.24 -1.346 . . . . 0.83 109.61 -169.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.43 123.7 38.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 1.53 109.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.6 m -68.66 133.98 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.933 -1.031 . . . . 1.1 112.011 -169.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -85.94 -126.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.447 -0.797 . . . . 3.06 111.258 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -71.26 51.91 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.448 -0.796 . . . . 1.8 112.529 -177.146 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 25.6 t 60.99 80.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.481 0.657 . . . . 1.7 110.862 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.426 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 38.9 m0 -63.01 129.82 42.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.318 -0.855 . . . . 0.5 111.546 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.52 43.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.538 -0.301 . . . . 2.06 110.805 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 35.8 t80 69.83 -53.17 0.62 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.853 0.861 . . . . 0.47 111.766 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.11 -41.18 97.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.302 . . . . 1.86 110.36 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.13 -43.66 95.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.523 0.678 . . . . 1.36 110.004 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.3 tp -64.49 -45.68 86.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.576 -1.193 . . . . 0.22 110.642 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.428 HD13 HD12 ' A' ' 798' ' ' ILE . 26.5 mm -64.52 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.56 -0.291 . . . . 0.51 111.18 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.12 -44.91 94.54 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.741 0.305 . . . . 2.69 110.76 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.09 91.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.27 110.256 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.623 ' O ' HG12 ' A' ' 802' ' ' ILE . 76.7 mt -58.95 -52.88 55.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.414 -0.812 . . . . 0.67 110.748 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -52.4 -45.23 65.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.997 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 32.9 t -65.48 -50.46 65.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.962 0.41 . . . . 1.29 110.851 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -67.95 -36.36 79.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.247 0.832 . . . . 1.95 113.247 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 798' ' ' ILE . 31.6 mm -57.3 -56.74 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 111.986 0.365 . . . . 1.56 111.986 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 65.1 m -158.83 55.65 0.43 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.726 0.639 . . . . 2.88 112.726 -174.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 806' ' ' HIS . 9.1 p-10 -79.29 -7.6 58.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.65 0.262 . . . . 5.02 110.846 174.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.0 t -71.07 36.73 0.05 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.624 0.601 . . . . 5.49 112.624 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.429 ' H ' ' C ' ' A' ' 804' ' ' ASN . 0.0 OUTLIER -176.07 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.893 0.477 . . . . 6.49 109.816 171.618 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -173.66 -148.09 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.44 -0.948 . . . . 5.72 108.44 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -66.86 142.0 57.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.184 0.516 . . . . 5.77 111.81 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.518 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 1.3 p-10 -76.19 -15.13 60.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 3.06 109.93 178.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 44.5 mm 85.32 -58.06 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.83 -1.077 . . . . 3.44 111.023 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 810' ' ' ILE . 21.2 t 174.27 148.08 0.23 Allowed Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.617 -0.72 . . . . 1.89 109.725 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.9 Cg_exo -75.56 54.5 3.93 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.159 2.573 . . . . 0.88 110.396 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' A' ' 814' ' ' THR . 50.5 mm 70.3 -74.42 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 114.183 -1.371 . . . . 1.67 108.992 -169.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 813' ' ' ILE . 9.1 t 149.69 -24.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.884 1.274 . . . . 1.9 108.209 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.584 ' HB3' ' OH ' ' A' ' 854' ' ' TYR . 0.0 OUTLIER -66.74 -54.48 22.46 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 114.636 -1.165 . . . . 2.52 111.34 -177.024 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.7 pt 47.03 133.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.017 1.858 . . . . 1.06 116.017 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.886 ' HG2' HG22 ' A' ' 827' ' ' VAL . 82.4 mttt -127.61 147.03 50.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.035 -1.893 . . . . 1.35 108.548 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.585 ' HB2' HD11 ' A' ' 849' ' ' LEU . 3.0 p90 -126.2 144.99 50.56 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.351 -0.611 . . . . 0.3 109.351 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.811 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.6 tt0 -128.12 145.45 51.01 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.94 -1.027 . . . . 1.08 109.675 -174.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 11.7 p-10 -125.74 136.87 53.65 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-N 116.023 -0.535 . . . . 1.73 110.084 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 56.96 23.96 8.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.388 -1.278 . . . . 3.38 111.271 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.493 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.3 t0 48.8 58.64 5.09 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.681 -0.69 . . . . 5.63 110.758 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -164.01 -29.4 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.912 -1.137 . . . . 1.39 113.737 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 7.3 t70 -127.41 145.86 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.569 -0.53 . . . . 1.47 109.569 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.8 OUTLIER -125.79 136.82 53.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.943 0.877 . . . . 1.16 111.599 -172.085 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 50.9 t -140.2 150.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 113.925 -1.489 . . . . 1.35 108.26 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.886 HG22 ' HG2' ' A' ' 817' ' ' LYS . 15.8 t -121.98 132.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.28 -1.008 . . . . 1.22 108.28 -171.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.1 pp -128.45 151.33 49.51 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.765 -0.774 . . . . 1.03 112.742 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 172.54 26.6 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.796 -1.093 . . . . 1.2 112.219 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -143.16 19.75 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.893 0.346 . . . . 1.93 110.881 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.8 t70 70.79 -52.67 0.67 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.509 0.724 . . . . 1.79 112.155 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.14 -42.08 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.49 . . . . 2.93 111.177 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -58.15 -48.22 80.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.253 -0.885 . . . . 2.14 111.067 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.543 ' HH2' HG11 ' A' ' 785' ' ' VAL . 20.3 t-105 -65.35 -37.62 87.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.277 -0.42 . . . . 0.26 110.478 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 22.0 t30 -59.76 -50.51 73.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.544 -0.298 . . . . 2.0 110.966 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.6 m -62.79 -36.53 75.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.908 -0.317 . . . . 1.36 110.706 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.634 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.91 -48.31 82.4 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 121.006 -0.278 . . . . 0.19 110.973 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 30.8 mtmm -56.9 -48.49 78.08 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.535 0.207 . . . . 1.22 111.023 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 51.0 mt-10 -59.57 -44.16 93.38 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.152 0.501 . . . . 2.22 110.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.55 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 34.9 ttp -56.94 -56.4 22.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.194 -0.912 . . . . 0.76 111.192 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.2 mt -54.94 -51.9 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.62 110.984 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.42 46.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.556 0.576 . . . . 0.61 112.556 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 2.92 111.29 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 45.4 m-20 -68.21 -35.27 77.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.036 -0.529 . . . . 1.53 110.889 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.37 -14.17 0.14 Allowed 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.348 1.03 . . . . 1.9 109.572 -173.449 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.51 64.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.334 -0.848 . . . . 2.97 110.98 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 29.8 ttpt -81.84 30.07 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.491 -0.322 . . . . 2.4 111.77 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -91.06 125.42 35.84 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.934 -0.765 . . . . 0.54 108.934 173.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 818' ' ' TYR . 33.0 tp -128.0 138.91 52.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.707 0.765 . . . . 0.56 110.552 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.866 ' HB3' HD11 ' A' ' 780' ' ' ILE . 34.6 m120 -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.949 -1.023 . . . . 0.96 108.916 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.521 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -127.15 124.84 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.644 -0.502 . . . . 0.35 109.644 -174.781 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.6 ttm180 -104.23 134.79 46.86 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.719 -0.474 . . . . 2.38 109.719 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.441 ' HB2' ' OE2' ' A' ' 779' ' ' GLU . 5.5 mp -100.56 -26.54 13.8 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.732 -0.387 . . . . 1.56 110.855 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.651 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 6.6 p90 . . . . . 0 C--O 1.252 1.188 0 O-C-N 124.355 1.034 . . . . 1.77 112.815 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.92 0.391 . . . . 3.17 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 779' ' ' GLU . 2.3 pm0 -66.6 126.73 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 3.25 110.202 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -92.42 138.07 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.638 0.732 . . . . 0.75 110.659 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.51 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.5 t80 -128.61 146.73 50.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.215 -1.031 . . . . 0.52 108.215 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.541 HG22 ' OD1' ' A' ' 850' ' ' ASN . 80.5 p -125.33 129.25 49.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.009 -0.737 . . . . 1.39 109.009 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 41.9 tp -149.72 146.48 27.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.497 -1.228 . . . . 0.83 109.461 -169.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.68 119.46 27.02 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.849 -0.797 . . . . 1.53 108.849 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.726 HG13 ' CE3' ' A' ' 789' ' ' TRP . 20.9 t -62.19 -35.76 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.252 -1.34 . . . . 1.1 111.623 -168.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 847' ' ' LYS . 16.5 tp10 69.39 -59.47 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.229 0.612 . . . . 3.06 111.746 175.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.85 139.59 39.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.787 -0.82 . . . . 1.8 108.787 175.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 1.002 HG23 ' HD2' ' A' ' 838' ' ' LYS . 1.4 p -46.74 108.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.608 -0.724 . . . . 1.7 112.41 -174.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.726 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.1 m0 -82.9 142.81 31.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.268 -0.878 . . . . 0.5 110.302 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -84.8 47.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.395 . . . . 2.06 110.292 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 53.9 t80 65.11 -55.04 0.31 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.222 1.009 . . . . 0.47 113.033 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.27 -38.02 85.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.167 0.508 . . . . 1.86 110.185 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 30.5 m-20 -62.58 -42.42 99.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 1.36 109.591 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 834' ' ' TRP . 8.7 tp -62.49 -45.83 91.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.469 -1.241 . . . . 0.22 110.414 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.54 -48.13 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.51 111.062 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 83.0 mtp -59.53 -45.01 93.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 -0.263 . . . . 2.69 111.161 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.2 87.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.27 110.383 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 802' ' ' ILE . 69.2 mt -59.66 -50.73 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.908 -0.587 . . . . 0.67 110.937 176.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -52.21 -52.77 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 1.21 111.82 -178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' A' ' 804' ' ' ASN . 17.1 m -68.76 -50.85 47.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.557 . . . . 1.29 111.869 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 1.95 113.154 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.8 mt -58.78 -66.76 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 120.76 -0.376 . . . . 1.56 110.622 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 69.0 m -167.53 79.58 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 2.88 109.926 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.742 ' HB3' ' HA ' ' A' ' 800' ' ' SER . 52.1 p-10 -75.08 42.64 0.19 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.188 0.518 . . . . 5.02 111.741 -178.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.0 t -177.65 140.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.464 -0.789 . . . . 5.49 109.881 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 45.9 m170 73.44 -49.61 0.69 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.715 0.806 . . . . 6.49 112.98 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -86.78 -144.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.968 0.413 . . . . 5.72 111.077 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 811' ' ' SER . 1.2 p30 -62.12 -69.65 0.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.646 -0.707 . . . . 5.77 111.346 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.4 ' CG ' ' HA ' ' A' ' 804' ' ' ASN . 45.8 t30 66.48 -51.27 0.44 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.871 0.868 . . . . 3.06 112.605 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.9 -44.97 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.513 . . . . 3.44 110.695 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 50.6 p -151.72 138.13 11.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.586 -0.734 . . . . 1.89 109.932 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.62 ' HB2' HG22 ' A' ' 816' ' ' ILE . 3.4 Cg_exo -73.77 64.18 4.85 Favored 'Trans proline' 0 CA--C 1.511 -0.643 0 C-N-CA 123.155 2.57 . . . . 0.88 110.749 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 814' ' ' THR . 1.6 mp 72.1 -67.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 113.251 -1.795 . . . . 1.67 107.939 -167.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 813' ' ' ILE . 4.1 t 158.27 -30.57 0.0 OUTLIER 'General case' 0 C--O 1.231 0.088 0 CA-C-N 114.915 -1.039 . . . . 1.9 108.267 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.755 ' HA ' ' HE3' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -66.61 -64.21 0.9 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.429 -1.26 . . . . 2.52 112.23 -173.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.62 HG22 ' HB2' ' A' ' 812' ' ' PRO . 18.6 pt 53.83 131.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.404 1.482 . . . . 1.06 113.973 -174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.733 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 77.1 tttt -127.7 145.38 50.91 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.01 -1.45 . . . . 1.35 108.291 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.703 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 5.7 p90 -126.96 145.9 50.52 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.475 0.655 . . . . 0.3 110.427 -174.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.038 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 3.7 tt0 -127.96 147.34 50.48 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.486 -1.234 . . . . 1.08 108.942 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 819' ' ' GLN . 0.0 OUTLIER -124.61 145.67 49.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.708 -0.479 . . . . 1.73 109.708 -172.604 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 846' ' ' GLU . 6.4 tp10 -41.93 -36.47 1.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.263 -1.335 . . . . 3.38 112.561 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.417 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 34.7 t70 -56.08 -33.08 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.058 0.456 . . . . 5.63 111.245 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 112.78 58.04 0.43 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.898 -0.668 . . . . 1.39 111.531 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 6.9 t70 -147.18 147.07 30.13 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.203 -0.199 . . . . 1.47 110.768 -172.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.733 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 1.8 m-85 -124.44 128.86 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.484 0.659 . . . . 1.16 110.165 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 82.4 t -142.9 148.85 19.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.362 -1.29 . . . . 1.35 108.612 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.2 p -122.64 131.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.537 -0.912 . . . . 1.22 108.537 -174.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.61 149.58 50.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.394 -0.821 . . . . 1.03 113.176 -163.445 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.59 -26.13 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.224 -1.353 . . . . 1.2 112.104 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 20.5 m -72.73 -7.66 51.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.448 0.536 . . . . 1.93 112.448 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.1 t0 64.42 49.37 2.49 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.556 1.169 . . . . 1.79 109.589 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.68 -46.02 0.06 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.838 -1.528 . . . . 2.93 107.133 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 828' ' ' LEU . 1.0 OUTLIER -56.77 -46.17 81.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.95 -1.932 . . . . 2.14 110.602 166.383 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.597 ' HB2' HD23 ' A' ' 828' ' ' LEU . 20.3 t-105 -66.41 -41.19 89.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.151 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.562 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 46.5 t30 -57.32 -49.66 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 2.0 111.322 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.34 -36.43 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.333 . . . . 1.36 110.426 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.703 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.26 -49.86 75.62 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.015 -0.274 . . . . 0.19 111.116 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 1.002 ' HD2' HG23 ' A' ' 788' ' ' VAL . 9.3 mtmp? -56.1 -49.39 73.97 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.821 0.343 . . . . 1.22 110.751 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 6.0 mm-40 -63.03 -39.72 95.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.736 -0.665 . . . . 2.22 110.312 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.558 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 44.8 ttp -56.47 -52.4 64.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.363 -0.835 . . . . 0.76 110.886 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 6.7 mt -58.67 -48.63 80.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 0.62 110.662 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.12 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.61 112.155 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.97 -50.13 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.289 0.566 . . . . 2.92 110.205 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.737 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 54.1 m-80 -67.94 -35.82 79.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.537 -0.756 . . . . 1.53 111.955 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.71 -12.73 0.17 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.574 1.149 . . . . 1.9 109.792 -173.607 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 14.0 mt-10 -74.96 73.71 2.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 2.97 110.34 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 786' ' ' GLU . 38.9 ttpt -74.29 0.23 14.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.968 -1.015 . . . . 2.4 111.762 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.4 t80 -68.39 125.32 26.07 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.086 -0.339 . . . . 0.54 110.086 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.3 tp -128.65 142.61 50.97 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.69 0.757 . . . . 0.56 109.943 177.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.038 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.8 m-80 -128.52 146.56 50.79 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.088 -1.079 . . . . 0.96 108.088 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.19 124.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 109.119 -0.697 . . . . 0.35 109.119 -174.464 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.427 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.8 ttm180 -110.9 129.48 55.86 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 120.54 -0.464 . . . . 2.38 110.703 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 1.7 mm? -100.98 134.62 43.7 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.391 -1.337 . . . . 1.56 107.391 170.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.721 -0.656 . . . . 1.77 109.815 -174.615 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.264 -0.273 . . . . 3.17 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.74 118.8 13.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.976 -0.379 . . . . 3.25 109.976 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' A' ' 850' ' ' ASN . 5.8 tp -106.07 136.54 40.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.75 110.191 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.511 ' HD2' HG13 ' A' ' 851' ' ' ILE . 11.8 t80 -129.05 146.38 51.03 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.671 -0.863 . . . . 0.52 108.671 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.514 HG22 ' OD1' ' A' ' 850' ' ' ASN . 21.5 p -125.92 133.67 51.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.882 0.372 . . . . 1.39 110.022 -174.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 1.06 HD11 ' HZ3' ' A' ' 789' ' ' TRP . 2.7 tm? -150.02 145.9 26.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.697 -1.138 . . . . 0.83 109.769 -167.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.533 ' H ' HD22 ' A' ' 783' ' ' LEU . 7.4 tt -128.23 121.54 29.61 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.499 -0.926 . . . . 1.53 108.499 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 35.1 m -71.12 119.1 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 1.1 110.984 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.48 -48.6 16.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.348 -0.842 . . . . 3.06 111.986 -171.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 52.5 pttt -145.45 55.7 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.399 -0.364 . . . . 1.8 111.238 -173.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 53.4 t 70.98 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.541 -0.754 . . . . 1.7 111.582 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 1.06 ' HZ3' HD11 ' A' ' 783' ' ' LEU . 42.8 m0 69.98 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.337 0.655 . . . . 0.5 112.08 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -78.9 38.87 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.536 -0.756 . . . . 2.06 111.299 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.461 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.1 t80 71.39 -48.72 0.68 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.68 0.792 . . . . 0.47 111.759 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 795' ' ' ILE . 38.3 m-20 -62.11 -40.52 96.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.86 110.34 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.87 -37.84 88.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.14 0.495 . . . . 1.36 110.379 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.477 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 4.4 tp -66.48 -49.45 66.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.467 -0.788 . . . . 0.22 110.704 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 792' ' ' ASP . 9.2 tp -64.9 -36.71 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.626 -0.261 . . . . 0.51 110.98 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 91.6 mmm -64.34 -42.98 95.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.419 -0.355 . . . . 2.69 110.409 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.12 97.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.27 110.542 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 794' ' ' LEU . 83.9 mt -58.8 -53.51 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.67 110.752 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.436 HD21 ' HD3' ' A' ' 812' ' ' PRO . 23.2 m-20 -62.83 -36.44 83.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 1.21 111.372 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -47.41 83.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.955 0.407 . . . . 1.29 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.67 -43.93 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.95 111.664 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 53.2 mt -71.94 140.46 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.56 110.778 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.594 ' HA ' ' HB3' ' A' ' 809' ' ' ASN . 7.7 t -159.92 34.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 2.88 111.066 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -170.91 45.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.451 -0.34 . . . . 5.02 111.373 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 5.2 t -61.64 -45.22 94.98 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.776 0.322 . . . . 5.49 111.172 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -170.14 26.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.227 -1.027 . . . . 6.49 108.227 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 8.6 p30 170.48 -125.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 113.204 -1.816 . . . . 5.72 107.142 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -74.9 -138.61 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.808 0.337 . . . . 5.77 110.516 169.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.594 ' HB3' ' HA ' ' A' ' 803' ' ' SER . 15.5 p-10 -146.82 132.25 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.005 -0.368 . . . . 3.06 110.005 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 45.2 mm -132.77 -52.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.947 -0.569 . . . . 3.44 110.52 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.489 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 10.0 t -159.88 142.2 9.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.773 -0.649 . . . . 1.89 109.721 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 1.0 OUTLIER -80.0 52.13 4.18 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.291 2.66 . . . . 0.88 111.967 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 42.6 mm 74.19 -18.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.044 0.537 . . . . 1.67 112.001 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 812' ' ' PRO . 25.4 p 72.8 -37.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.016 1.326 . . . . 1.9 111.196 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.481 ' N ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -78.54 50.08 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.539 -0.3 . . . . 2.52 110.54 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 828' ' ' LEU . 42.8 pt -63.73 148.74 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.414 0.626 . . . . 1.06 111.196 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.859 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 28.8 tttp -126.14 142.65 51.43 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.966 -1.494 . . . . 1.35 106.966 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.676 ' CD2' HD23 ' A' ' 828' ' ' LEU . 7.6 p90 -127.04 146.3 50.41 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.335 0.588 . . . . 0.3 110.657 -170.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.112 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 12.0 tt0 -127.95 148.32 50.51 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.405 -1.271 . . . . 1.08 109.336 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -122.46 145.27 48.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.605 -168.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.615 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 82.7 tt0 -41.34 -45.82 3.13 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.052 1.341 . . . . 3.38 113.671 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -61.96 -37.83 86.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.917 0.389 . . . . 5.63 110.769 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 129.02 59.14 0.1 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.737 . . . . 1.39 112.286 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 26.2 t70 -134.64 146.46 49.56 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.182 -0.207 . . . . 1.47 110.653 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.31 127.93 46.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 1.16 110.062 -176.345 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.542 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 58.5 t -144.13 148.89 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.811 -1.086 . . . . 1.35 108.909 -173.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.746 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 13.6 p -123.9 135.79 62.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.449 -0.575 . . . . 1.22 109.449 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.676 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.6 pp -128.39 145.25 51.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.231 -0.895 . . . . 1.03 111.77 -167.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -177.67 32.56 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.213 -0.903 . . . . 1.2 111.756 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.9 m -153.19 26.62 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.591 0.234 . . . . 1.93 110.874 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.25 -45.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.864 1.266 . . . . 1.79 113.773 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.49 -36.76 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.348 0.594 . . . . 2.93 111.066 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -66.12 -44.36 84.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.215 -0.902 . . . . 2.14 111.531 179.087 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.546 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 27.4 t-105 -66.21 -38.16 87.3 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.527 -0.469 . . . . 0.26 109.827 174.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 24.5 t-20 -54.61 -51.77 64.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.813 -0.631 . . . . 2.0 110.684 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 833' ' ' ASP . 25.0 m -64.58 -36.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.473 -0.33 . . . . 1.36 111.391 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.692 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.41 -48.37 82.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.234 -0.587 . . . . 0.19 110.594 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.546 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 9.0 mtmp? -55.93 -54.23 47.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.65 0.262 . . . . 1.22 111.648 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 29.3 mm-40 -59.68 -40.58 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 2.22 110.014 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 36.4 ttp -57.58 -50.1 74.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.041 -0.981 . . . . 0.76 110.839 175.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 62.8 mt -61.06 -51.74 67.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.62 111.233 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.83 89.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 0.61 111.848 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.28 -54.86 14.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 2.92 111.24 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.0 m-80 -68.0 -35.8 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 1.53 112.396 -176.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.35 -6.23 0.14 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.305 1.042 . . . . 1.9 109.68 -174.355 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.615 ' HG3' ' HB3' ' A' ' 821' ' ' GLU . 30.5 tt0 -65.36 122.34 16.92 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.267 -1.012 . . . . 2.97 108.267 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -143.7 6.2 1.41 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.535 -0.866 . . . . 2.4 111.705 -169.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 22.0 t80 -77.37 125.21 28.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.38 -0.97 . . . . 0.54 108.38 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.9 tp -128.07 140.66 51.82 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.656 0.741 . . . . 0.56 109.901 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.112 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.4 m-80 -128.77 147.58 50.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.777 -1.101 . . . . 0.96 108.155 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.12 124.35 67.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.929 -0.767 . . . . 0.35 108.929 -176.469 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.859 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 80.0 ttt180 -99.88 134.4 42.83 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.36 -0.836 . . . . 2.38 110.463 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 852' ' ' ARG . 18.3 mt -117.37 138.37 51.84 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.654 -1.239 . . . . 1.56 107.654 167.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.162 -0.923 . . . . 1.77 110.443 -165.158 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.028 0.442 . . . . 3.17 111.089 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 18.7 pt-20 -75.75 127.82 33.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.984 -0.553 . . . . 3.25 109.787 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.3 tp -86.73 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.232 0.539 . . . . 0.75 110.14 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.468 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -128.01 145.43 50.98 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.824 -0.806 . . . . 0.52 108.824 -176.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.2 m -127.71 128.28 45.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 1.39 110.68 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 783' ' ' LEU . 8.0 tp -150.58 146.9 26.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.053 -0.976 . . . . 0.83 108.738 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.602 ' HG ' ' HA ' ' A' ' 848' ' ' PHE . 7.5 mp -125.8 122.49 36.31 Favored 'General case' 0 C--N 1.315 -0.907 0 O-C-N 121.626 -0.671 . . . . 1.53 109.708 -177.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.684 HG13 ' CE3' ' A' ' 789' ' ' TRP . 1.7 t -70.75 83.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.128 -1.397 . . . . 1.1 111.634 -168.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.67 -59.46 3.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 3.06 111.885 -175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -104.44 32.12 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.425 -0.352 . . . . 1.8 111.916 -171.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.5 t 47.89 70.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.392 0.615 . . . . 1.7 111.513 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.684 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.0 m0 -55.77 139.54 44.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.343 -0.844 . . . . 0.5 112.517 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -90.41 45.91 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.583 -0.525 . . . . 2.06 109.583 173.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 45.6 t80 70.06 -50.49 0.64 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.169 -0.923 . . . . 0.47 111.891 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.27 -41.3 96.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.97 0.414 . . . . 1.86 110.109 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.9 OUTLIER -65.44 -40.6 93.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.684 -0.689 . . . . 1.36 109.655 177.218 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.6 tp -63.69 -45.81 88.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.817 -1.083 . . . . 0.22 110.33 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.65 -45.25 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.51 110.852 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 3.9 mmt -56.9 -45.36 82.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.379 -0.373 . . . . 2.69 111.384 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.55 92.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.27 110.291 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 794' ' ' LEU . 75.6 mt -59.31 -51.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.987 -0.551 . . . . 0.67 111.099 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -54.54 -53.15 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 1.21 111.621 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 11.5 p -67.32 -41.93 84.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.936 -0.575 . . . . 1.29 111.455 -177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 801' ' ' LYS . 12.6 tppt? -67.92 -44.94 75.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.334 -0.394 . . . . 1.95 111.064 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.6 mt -64.59 -39.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.492 -0.322 . . . . 1.56 110.666 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 93.4 p -86.76 -130.83 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.512 -0.313 . . . . 2.88 110.259 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 805' ' ' THR . 13.7 p30 -176.57 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.774 0.321 . . . . 5.02 111.189 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.447 HG22 ' OD1' ' A' ' 804' ' ' ASN . 11.7 t -149.21 -37.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.984 -0.286 . . . . 5.49 111.328 -178.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.42 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 84.2 m-70 -86.97 -142.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 6.49 110.463 177.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.42 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 0.5 OUTLIER -138.4 59.94 1.63 Allowed 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.47 -0.937 . . . . 5.72 108.47 176.235 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -43.56 -33.59 1.19 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.852 -1.067 . . . . 5.77 110.304 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' A' ' 812' ' ' PRO . 40.7 p-10 -158.87 127.55 5.33 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.966 -1.015 . . . . 3.06 111.036 165.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 9.4 tp -87.71 -28.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.069 -1.086 . . . . 3.44 108.069 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 18.3 m -117.87 112.6 38.38 Favored Pre-proline 0 N--CA 1.437 -1.105 0 CA-C-N 114.401 -1.272 . . . . 1.89 108.232 169.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.503 ' HA ' ' ND2' ' A' ' 809' ' ' ASN . 11.8 Cg_exo -71.37 64.51 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 123.315 2.677 . . . . 0.88 111.483 -176.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 815' ' ' LYS . 32.2 mm 75.75 -26.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.532 -0.758 . . . . 1.67 110.919 -174.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.451 ' H ' ' C ' ' A' ' 812' ' ' PRO . 23.8 p 73.89 -29.68 0.2 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 1.9 110.168 -170.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 813' ' ' ILE . 3.6 mmpp? -82.24 53.79 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.719 -0.673 . . . . 2.52 110.566 173.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 24.5 pt -81.23 145.71 8.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.753 0.787 . . . . 1.06 110.656 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.775 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 73.0 tttt -126.7 144.85 50.8 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.203 -1.406 . . . . 1.35 107.203 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.2 p90 -126.87 145.76 50.54 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.717 0.77 . . . . 0.3 110.41 -171.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.928 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 37.2 tt0 -130.3 145.75 51.81 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.017 -1.447 . . . . 1.08 109.339 -173.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -125.78 136.87 53.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.388 -0.369 . . . . 1.73 110.118 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.6 tp10 54.58 23.91 5.01 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.719 -1.128 . . . . 3.38 111.472 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 30.0 t70 51.73 45.9 27.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.959 -0.564 . . . . 5.63 110.746 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.66 -34.55 0.08 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.062 -1.066 . . . . 1.39 113.9 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 819' ' ' GLN . 26.3 t0 -128.25 147.79 50.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.956 0.378 . . . . 1.47 110.704 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.775 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 16.5 m-85 -124.39 134.92 52.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.926 0.87 . . . . 1.16 111.489 -171.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 46.1 t -142.47 147.47 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.129 -1.396 . . . . 1.35 108.314 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.9 p -124.79 135.24 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 118.651 0.66 . . . . 1.22 110.396 -175.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 834' ' ' TRP . 4.3 pp -129.5 176.55 7.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 1.03 111.499 -172.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.61 -37.52 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.515 -0.766 . . . . 1.2 112.094 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -86.82 -84.68 0.17 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.642 0.238 . . . . 1.93 111.642 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -167.16 -48.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.842 0.353 . . . . 1.79 110.902 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -50.15 -49.13 53.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.609 -0.723 . . . . 2.93 112.887 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 828' ' ' LEU . 1.3 t0 -61.24 -36.74 80.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.381 0.61 . . . . 2.14 110.575 -177.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.612 ' HB2' HD22 ' A' ' 828' ' ' LEU . 23.8 t-105 -68.41 -41.13 80.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.802 -0.635 . . . . 0.26 110.567 174.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 48.1 m-20 -55.03 -53.5 55.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.367 -0.379 . . . . 2.0 110.437 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.66 -36.27 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.976 -0.556 . . . . 1.36 111.103 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.24 -52.31 65.83 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.98 -0.288 . . . . 0.19 110.587 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 8.6 mtmp? -56.7 -47.17 80.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.637 -0.256 . . . . 1.22 111.011 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 71.1 mm-40 -58.82 -46.22 88.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.144 -0.48 . . . . 2.22 110.343 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 27.1 ttp -53.0 -53.41 50.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.01 -0.996 . . . . 0.76 111.077 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 31.4 mt -59.62 -57.58 12.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.086 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.55 -50.5 72.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.528 -0.76 . . . . 0.61 112.47 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.61 -50.93 47.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.061 0.393 . . . . 2.92 112.061 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.612 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 78.5 m-20 -68.83 -57.94 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.409 -0.516 . . . . 1.53 111.791 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 10.3 p30 160.38 -29.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.719 0.637 . . . . 1.9 110.257 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.93 164.13 2.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.514 0.674 . . . . 2.97 112.806 -172.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -163.32 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.346 -0.843 . . . . 2.4 110.284 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.904 ' HE2' HD21 ' A' ' 850' ' ' ASN . 17.4 t80 -60.25 124.11 19.28 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.832 -0.803 . . . . 0.54 108.832 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.6 tp -129.18 140.42 51.51 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.56 0.695 . . . . 0.56 109.749 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 2.9 m120 -128.83 145.98 51.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.071 -1.085 . . . . 0.96 108.071 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.18 124.74 66.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.941 -0.763 . . . . 0.35 108.941 -174.116 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.738 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 47.7 ttt180 -101.08 114.4 28.31 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.238 -0.437 . . . . 2.38 110.588 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.488 ' HB2' ' HG3' ' A' ' 779' ' ' GLU . 2.7 mm? -90.34 69.8 7.03 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.629 -0.878 . . . . 1.56 108.629 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.145 -0.934 . . . . 1.77 111.871 -171.068 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 111.517 0.192 . . . . 3.17 111.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.21 120.62 11.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 3.25 109.826 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.2 tp -76.95 137.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.706 -0.679 . . . . 0.75 110.265 -176.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 851' ' ' ILE . 28.9 t80 -127.73 145.84 50.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.195 -0.911 . . . . 0.52 108.934 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.0 m -127.32 129.73 48.2 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.368 0.604 . . . . 1.39 110.572 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.78 146.5 27.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.725 -1.125 . . . . 0.83 109.142 -173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.1 tt -126.64 117.61 23.1 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.039 -0.665 . . . . 1.53 109.52 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.467 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.2 m -69.72 146.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.076 -0.965 . . . . 1.1 112.113 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.87 156.4 37.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.486 -0.779 . . . . 3.06 109.518 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.9 pttm 47.94 33.86 3.68 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.992 0.917 . . . . 1.8 112.843 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 14.2 t 47.28 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.947 -0.57 . . . . 1.7 111.688 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 36.5 m0 -54.13 125.79 20.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.5 112.195 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.55 38.45 0.62 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.872 0.368 . . . . 2.06 110.966 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.436 ' HD1' HD23 ' A' ' 794' ' ' LEU . 23.6 t80 72.76 -47.88 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.646 0.778 . . . . 0.47 111.354 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -58.25 -47.94 81.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.01 0.433 . . . . 1.86 110.265 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 77.0 m-20 -61.7 -41.24 97.32 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.631 -0.713 . . . . 1.36 110.738 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.8 tp -62.7 -47.11 85.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.658 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.71 -42.04 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.489 -0.323 . . . . 0.51 111.092 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.42 -41.13 96.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.815 -0.175 . . . . 2.69 111.077 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.62 97.98 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.754 0.311 . . . . 0.27 110.307 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 794' ' ' LEU . 73.4 mt -60.91 -51.84 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.721 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -56.78 -50.51 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.21 111.554 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.4 p -65.42 -47.03 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.804 0.335 . . . . 1.29 111.507 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.47 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 55.9 tttm -68.32 -42.29 79.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 1.95 111.644 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 15.0 mt -72.84 -39.8 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.896 0.332 . . . . 1.56 111.896 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 71.8 p -56.65 108.6 0.51 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.5 0.667 . . . . 2.88 111.268 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.32 -37.3 7.71 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.108 -0.951 . . . . 5.02 108.918 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.45 ' HB ' ' H ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER -58.78 -91.58 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.099 -0.955 . . . . 5.49 112.059 -175.289 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.45 ' H ' ' HB ' ' A' ' 805' ' ' THR . 9.8 p80 -171.65 39.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.569 0.211 . . . . 6.49 111.569 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -174.44 141.41 0.69 Allowed 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.966 -0.383 . . . . 5.72 109.966 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -61.72 136.47 58.01 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.399 -0.593 . . . . 5.77 109.399 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.424 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 6.7 m120 -57.13 -27.65 62.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.909 -0.587 . . . . 3.06 111.774 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 51.4 mm 77.55 -47.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.293 0.637 . . . . 3.44 110.073 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 61.9 m -154.59 130.44 5.42 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 108.599 -0.889 . . . . 1.89 108.599 174.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.6 Cg_exo -78.8 42.68 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.039 2.493 . . . . 0.88 111.966 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.505 HG22 ' HE2' ' A' ' 815' ' ' LYS . 17.8 mm 66.34 141.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.461 -0.791 . . . . 1.67 109.552 -175.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 64.3 p -86.57 44.57 1.16 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.322 0.86 . . . . 1.9 113.322 -162.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.639 ' HE3' ' C ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -158.16 51.75 0.43 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.219 -1.355 . . . . 2.52 110.585 171.359 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 827' ' ' VAL . 43.3 pt -65.68 146.52 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 1.06 109.73 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.931 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 37.4 tttp -126.53 144.04 51.01 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.376 -0.972 . . . . 1.35 108.376 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 828' ' ' LEU . 5.9 p90 -127.64 146.05 50.68 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.855 0.836 . . . . 0.3 111.58 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 1.028 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.5 tt0 -128.38 147.33 50.63 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.789 -1.55 . . . . 1.08 108.846 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 824' ' ' ASP . 10.7 p-10 -124.07 143.75 50.27 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.135 -1.061 . . . . 1.73 108.135 -178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 83.1 tt0 -49.13 -29.47 5.39 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.27 -0.877 . . . . 3.38 112.771 -167.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.55 -33.76 60.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 5.63 110.717 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 119.04 48.7 0.35 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 1.39 112.629 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' HB3' ' OD1' ' A' ' 820' ' ' ASP . 13.1 t70 -134.45 145.42 48.85 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.874 -0.331 . . . . 1.47 111.14 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.45 124.52 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.517 0.675 . . . . 1.16 110.097 -177.606 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -149.92 149.81 14.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 114.101 -1.408 . . . . 1.35 108.743 -171.197 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.931 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 7.3 p -122.0 136.2 59.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 O-C-N 121.557 -0.714 . . . . 1.22 109.833 -168.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.57 155.39 44.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.911 -1.04 . . . . 1.03 110.52 -169.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 178.01 42.22 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.948 -0.644 . . . . 1.2 111.969 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -137.71 -71.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.863 -0.335 . . . . 1.93 110.881 -177.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 830' ' ' SER . 50.9 t0 171.04 -56.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.339 -0.615 . . . . 1.79 109.339 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.5 mm-40 -62.94 -37.58 87.62 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.282 -0.872 . . . . 2.93 111.376 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.52 -45.67 84.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.308 -0.405 . . . . 2.14 111.32 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.502 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 20.8 t-105 -67.64 -43.29 80.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.601 -0.272 . . . . 0.26 110.711 174.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.526 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 82.8 m-20 -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.654 -0.248 . . . . 2.0 110.677 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 832' ' ' GLU . 70.0 t -60.8 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 1.36 110.71 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -57.68 -48.11 80.44 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.855 -0.338 . . . . 0.19 110.836 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 835' ' ' ASN . 50.5 mtmt -56.86 -48.86 77.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 1.22 111.236 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.344 -0.389 . . . . 2.22 110.465 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -53.51 -49.6 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.76 110.54 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 22.9 mt -62.0 -58.29 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.62 111.188 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.89 82.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.429 -0.805 . . . . 0.61 112.515 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.98 -52.52 48.78 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.083 0.239 . . . . 2.92 111.311 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.4 m-80 -68.38 -58.96 3.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.633 -0.427 . . . . 1.53 111.974 -176.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 845' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 21.4 p30 156.24 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.04 0.838 . . . . 1.9 110.023 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 846' ' ' GLU . 1.0 OUTLIER -59.39 159.91 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.322 -0.854 . . . . 2.97 111.706 -174.174 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.77 -27.25 0.1 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.334 -0.394 . . . . 2.4 110.63 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.822 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 9.0 t80 -62.39 127.79 32.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.412 -0.358 . . . . 0.54 110.094 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.7 tp -128.4 142.97 50.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.522 0.677 . . . . 0.56 110.406 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 1.028 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.7 m-80 -128.73 146.73 50.81 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.377 -0.972 . . . . 0.96 108.377 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.642 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.09 127.32 70.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.628 -0.508 . . . . 0.35 109.628 -174.07 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 71.3 ttt180 -100.49 113.52 26.37 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.055 0.455 . . . . 2.38 109.814 175.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.9 mm? -94.78 56.7 2.06 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.885 -0.598 . . . . 1.56 109.754 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.531 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 48.3 p90 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.461 -0.78 . . . . 1.77 111.236 -174.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.106 0.479 . . . . 3.17 110.786 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.431 ' HG2' HD23 ' A' ' 853' ' ' LEU . 2.9 pm0 -75.38 128.22 34.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.807 -0.633 . . . . 3.25 109.798 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.5 tp -89.8 137.23 21.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.75 110.004 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.568 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.3 t80 -128.23 145.69 50.96 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.37 -0.832 . . . . 0.52 109.121 -177.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.4 p -127.0 131.89 50.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.659 -0.497 . . . . 1.39 109.659 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.3 tp -149.62 147.27 27.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.036 -0.984 . . . . 0.83 109.747 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.536 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 7.4 tp -126.09 116.74 21.85 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.914 -0.772 . . . . 1.53 108.914 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.587 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.7 m -67.37 123.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.1 111.601 -170.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -83.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 3.06 110.935 -172.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 1.7 mppt? -83.09 35.66 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.637 -0.256 . . . . 1.8 111.4 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 76.3 t 71.17 -47.18 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 122.854 0.461 . . . . 1.7 110.938 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 53.2 m0 72.09 127.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.727 0.811 . . . . 0.5 111.671 175.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -93.8 44.64 1.13 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.769 -0.456 . . . . 2.06 109.769 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.514 ' HD1' HD23 ' A' ' 794' ' ' LEU . 15.5 t80 71.82 -45.05 0.61 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.819 0.847 . . . . 0.47 111.815 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 1.86 110.259 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.441 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 1.6 t70 -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 1.36 110.438 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.514 HD23 ' HD1' ' A' ' 791' ' ' PHE . 4.2 tp -61.57 -46.14 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.06 -0.973 . . . . 0.22 110.723 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.51 110.658 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.31 -44.83 88.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 2.69 111.078 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.71 88.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.27 110.643 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 794' ' ' LEU . 82.5 mt -57.65 -53.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.67 111.198 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 799' ' ' ASN . . . . . 0.513 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 66.8 m-20 -63.36 -36.75 84.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.508 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.5 t -62.53 -47.71 82.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.061 0.458 . . . . 1.29 110.336 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 28.9 mmmt -69.4 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.95 111.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 47.7 mt -76.37 132.16 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.419 -0.355 . . . . 1.56 111.642 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.8 t 59.6 37.03 22.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.81 -0.632 . . . . 2.88 110.424 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -78.63 41.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 5.02 112.567 -178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.3 p -72.84 -61.83 1.67 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.064 0.459 . . . . 5.49 110.025 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.41 35.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.077 -0.965 . . . . 6.49 109.563 174.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -144.25 150.65 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.945 -1.025 . . . . 5.72 109.021 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.513 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 23.5 m-20 -84.76 13.63 5.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.191 -0.3 . . . . 5.77 110.191 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 t30 66.2 146.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.648 0.779 . . . . 3.06 111.918 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 810' ' ' ILE . 1.6 mp -72.13 -64.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.239 0.542 . . . . 3.44 109.964 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 50.1 m -163.57 144.99 7.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.352 -0.84 . . . . 1.89 109.538 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.798 ' HB2' HG23 ' A' ' 816' ' ' ILE . 6.0 Cg_exo -76.2 50.42 2.86 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.406 2.738 . . . . 0.88 111.219 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.887 HG22 ' HE2' ' A' ' 815' ' ' LYS . 8.9 mm 68.13 15.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 114.377 -1.283 . . . . 1.67 111.801 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 11.1 p 69.62 -41.48 0.48 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.343 1.457 . . . . 1.9 113.59 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.887 ' HE2' HG22 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -115.17 59.13 0.71 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.175 0.988 . . . . 2.52 110.137 177.191 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.798 HG23 ' HB2' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -46.04 150.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 113.651 -1.613 . . . . 1.06 110.471 173.702 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.452 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 18.0 ttmm -126.51 145.13 50.63 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.962 -1.125 . . . . 1.35 107.962 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.0 p90 -126.39 146.02 50.23 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.69 0.757 . . . . 0.3 110.42 -169.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.851 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 12.3 tt0 -127.72 145.34 50.93 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.056 -1.429 . . . . 1.08 108.657 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.455 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 0.2 OUTLIER -126.74 137.33 53.23 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.422 -0.584 . . . . 1.73 109.422 -174.222 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 68.1 mt-10 55.17 25.12 6.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.571 -1.195 . . . . 3.38 111.636 -175.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.592 ' HA ' ' OE1' ' A' ' 819' ' ' GLN . 35.4 t70 54.54 51.75 13.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.124 -0.489 . . . . 5.63 111.294 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -161.59 -25.91 0.02 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 119.379 -1.391 . . . . 1.39 114.943 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 44.0 t0 -126.98 147.5 50.12 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.961 0.88 . . . . 1.47 110.427 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.6 ' CE1' ' NE2' ' A' ' 819' ' ' GLN . 12.3 m-85 -124.92 131.26 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.7 0.762 . . . . 1.16 111.838 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 43.4 t -145.13 148.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.054 -1.43 . . . . 1.35 107.649 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.49 139.73 49.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 118.573 0.624 . . . . 1.22 109.424 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 833' ' ' ASP . 1.3 pp -128.16 162.68 26.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.757 . . . . 1.03 112.782 -166.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 169.6 -35.14 0.18 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 114.34 -1.3 . . . . 1.2 110.534 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 831' ' ' ASP . 0.6 OUTLIER -72.55 -8.29 54.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.212 -0.494 . . . . 1.93 111.45 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 830' ' ' SER . 36.4 t70 77.82 -37.48 0.24 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.681 0.793 . . . . 1.79 111.0 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.06 -40.72 81.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.048 0.452 . . . . 2.93 110.413 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.0 OUTLIER -58.18 -43.91 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.038 -0.983 . . . . 2.14 110.266 175.02 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.615 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.7 t-105 -66.91 -42.1 85.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.498 -0.774 . . . . 0.26 110.689 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.493 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 72.9 m-20 -58.32 -45.86 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.556 -0.293 . . . . 2.0 111.221 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 833' ' ' ASP . 19.0 m -66.91 -36.37 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.585 -0.446 . . . . 1.36 110.847 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -47.52 85.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.593 0.235 . . . . 0.19 110.767 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 51.9 mtmt -59.43 -44.42 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 1.22 110.81 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 843' ' ' GLU . 51.7 mm-40 -56.59 -49.88 73.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.282 0.563 . . . . 2.22 110.008 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 41.4 ttp -53.82 -51.98 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.751 -1.113 . . . . 0.76 111.302 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 67.1 mt -60.38 -43.3 96.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.012 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.26 64.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.61 112.004 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 839' ' ' GLU . 56.1 mt-10 -63.93 -44.15 93.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 2.92 110.284 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -65.57 -34.38 78.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 1.53 111.149 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 72.29 20.04 4.22 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.591 0.756 . . . . 1.9 109.27 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 47.1 tp10 -94.1 -45.4 7.57 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.737 -1.12 . . . . 2.97 110.161 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 847' ' ' LYS . . . . . 0.685 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 36.7 ttmt 69.08 -19.24 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.286 0.847 . . . . 2.4 113.286 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.31 124.57 20.97 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.54 110.414 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 20.3 tp -128.35 140.42 51.87 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.55 -0.75 . . . . 0.56 109.846 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.851 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 1.6 m120 -128.35 145.97 50.91 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.522 -1.288 . . . . 0.96 107.522 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.568 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.8 OUTLIER -126.8 127.8 70.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.564 -0.532 . . . . 0.35 109.564 -173.509 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.406 ' HB2' ' HE2' ' A' ' 825' ' ' PHE . 51.6 ttt180 -106.96 127.59 53.58 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.721 -0.672 . . . . 2.38 110.265 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 779' ' ' GLU . 2.8 mm? -103.69 137.79 41.23 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.172 -1.047 . . . . 1.56 108.172 175.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.452 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 24.4 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.762 -0.637 . . . . 1.77 110.22 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 5.9 pt-20 . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.248 0.547 . . . . 3.25 111.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.4 tp -107.32 141.53 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.06 -0.973 . . . . 0.75 110.71 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.577 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.9 t80 -130.37 145.87 51.86 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.964 -1.016 . . . . 0.52 108.839 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.615 HG22 ' OD1' ' A' ' 850' ' ' ASN . 67.5 p -126.68 126.77 44.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.927 -0.398 . . . . 1.39 109.927 -175.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 17.7 tp -150.51 147.22 27.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.889 . . . . 0.83 109.994 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.75 126.2 44.21 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.918 -0.489 . . . . 1.53 109.932 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.697 HG11 ' HH2' ' A' ' 834' ' ' TRP . 17.1 m -72.4 87.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.627 -1.17 . . . . 1.1 113.195 -169.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -74.22 140.94 45.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.861 -0.609 . . . . 3.06 110.786 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 22.8 pttp 46.74 32.02 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 1.8 113.455 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.4 t 49.62 90.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.523 0.678 . . . . 1.7 112.585 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.487 ' CE3' HG12 ' A' ' 785' ' ' VAL . 22.5 m0 -68.62 140.28 55.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.56 -0.745 . . . . 0.5 112.889 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.71 42.32 1.01 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.839 -0.618 . . . . 2.06 110.549 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.515 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.9 t80 69.69 -54.78 0.6 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.992 0.917 . . . . 0.47 112.174 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.93 -41.53 96.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.221 0.534 . . . . 1.86 109.729 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.69 -39.39 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.304 -0.862 . . . . 1.36 110.092 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.1 tp -67.06 -45.8 76.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.017 -0.992 . . . . 0.22 110.83 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.95 -49.04 86.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.823 0.344 . . . . 0.51 111.019 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -40.88 88.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 2.69 110.96 178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.2 99.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.425 -0.352 . . . . 0.27 110.923 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 794' ' ' LEU . 79.6 mt -57.21 -49.76 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.608 . . . . 0.67 110.411 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.73 -37.94 87.77 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.005 -0.543 . . . . 1.21 111.038 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 49.7 m -54.09 -46.09 71.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.169 0.509 . . . . 1.29 109.837 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.437 ' HG3' ' HZ ' ' A' ' 781' ' ' PHE . 46.0 mmtm -69.23 -56.49 7.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.07 175.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 51.6 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.637 -0.256 . . . . 1.56 111.57 -176.019 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo . . . . . 0 CA--C 1.528 0.191 0 CA-C-O 120.675 0.198 . . . . 0.88 112.388 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 813' ' ' ILE . 35.2 mm 68.1 -3.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.938 -0.573 . . . . 1.67 110.889 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.43 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 44.8 p 59.13 9.2 1.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.427 1.091 . . . . 1.9 111.59 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.0 mmpt? -103.79 43.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 2.52 109.972 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.821 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -70.91 134.26 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.867 0.842 . . . . 1.06 111.366 -176.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.92 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 31.6 tttp -127.26 139.69 52.74 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.163 -1.421 . . . . 1.35 107.163 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.652 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 14.3 p90 -127.61 145.76 50.77 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.817 0.818 . . . . 0.3 111.697 -170.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.933 ' HG2' HD22 ' A' ' 850' ' ' ASN . 2.9 tt0 -128.39 144.22 51.11 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.421 -1.263 . . . . 1.08 109.42 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.522 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.4 p30 -126.61 141.04 51.98 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.04 -0.527 . . . . 1.73 109.995 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 59.4 18.43 6.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.286 -0.87 . . . . 3.38 110.165 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.7 t0 53.71 38.69 28.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.325 -0.852 . . . . 5.63 110.972 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.23 -29.05 0.2 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.805 -1.188 . . . . 1.39 114.424 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 11.1 t70 -127.63 145.41 50.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.747 0.774 . . . . 1.47 110.223 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -125.71 128.96 48.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.594 0.712 . . . . 1.16 111.328 -172.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.14 148.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.381 -1.281 . . . . 1.35 108.855 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.92 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 8.4 p -123.87 141.63 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 121.518 -0.739 . . . . 1.22 110.547 -169.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.631 HD23 ' CD1' ' A' ' 818' ' ' TYR . 4.6 pp -129.74 172.59 11.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.473 -0.785 . . . . 1.03 111.14 -171.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.04 -48.89 0.03 OUTLIER Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.914 -0.875 . . . . 1.2 110.914 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -83.09 144.57 29.79 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.221 -0.659 . . . . 1.93 109.221 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.62 65.94 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.356 0.598 . . . . 1.79 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -149.09 -47.35 0.14 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.031 -0.729 . . . . 2.93 109.031 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 31.6 m-20 -62.94 -37.14 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.606 -0.725 . . . . 2.14 109.205 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.697 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.2 t-105 -65.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.123 -0.944 . . . . 0.26 110.759 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.07 -46.09 90.73 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.631 -0.507 . . . . 2.0 109.631 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.64 -45.69 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.369 -0.832 . . . . 1.36 110.636 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.91 -50.22 73.07 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 111.884 0.327 . . . . 0.19 111.884 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.538 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 51.6 mtmt -57.87 -45.44 86.32 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 121.148 -0.221 . . . . 1.22 110.836 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.47 -42.21 98.42 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.041 0.448 . . . . 2.22 110.344 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 38.6 ttp -57.8 -55.68 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.34 -0.845 . . . . 0.76 110.379 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.3 mt -54.46 -49.49 69.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.255 -0.43 . . . . 0.62 111.348 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.69 71.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.206 0.447 . . . . 0.61 112.206 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -68.58 -46.2 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 2.92 110.865 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.539 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.4 m120 -64.59 -35.3 80.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 1.53 110.428 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.539 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 96.2 -12.53 0.09 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.216 . . . . 1.9 109.788 -175.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -71.54 152.92 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.318 -0.855 . . . . 2.97 110.364 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 82.6 tttt -142.47 -17.02 0.72 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.283 -0.417 . . . . 2.4 110.617 -174.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -61.89 124.8 21.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.74 -0.467 . . . . 0.54 109.74 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.0 tp -128.42 144.22 51.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.349 0.595 . . . . 0.56 109.413 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.933 HD22 ' HG2' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.13 145.41 51.02 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.274 -1.009 . . . . 0.96 108.274 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.651 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -126.93 124.43 64.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.212 -0.662 . . . . 0.35 109.212 -175.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.4 ttm180 -106.71 137.98 43.73 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 116.274 -0.421 . . . . 2.38 110.6 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 852' ' ' ARG . 12.7 mt -119.65 138.1 53.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 107.712 -1.218 . . . . 1.56 107.712 167.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--N 1.312 -1.035 0 CA-C-O 118.231 -0.89 . . . . 1.77 110.943 -165.64 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.641 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 6.0 pt-20 . . . . . 0 N--CA 1.449 -0.48 0 CA-C-O 121.221 0.534 . . . . 3.25 109.852 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 850' ' ' ASN . 6.6 tp -91.0 139.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.624 -0.716 . . . . 0.75 109.576 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.64 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.8 t80 -127.57 145.25 50.93 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.818 -0.808 . . . . 0.52 108.818 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.1 m -127.29 128.86 46.65 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.838 -0.43 . . . . 1.39 109.838 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.6 tp -149.98 147.64 28.1 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.638 -1.165 . . . . 0.83 109.376 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.46 121.94 35.22 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.359 -0.608 . . . . 1.53 109.359 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.689 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.5 t -71.35 123.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.055 -1.43 . . . . 1.1 112.037 -167.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -80.2 -115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.048 -0.978 . . . . 3.06 111.138 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.785 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -76.53 54.71 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 1.8 111.821 -177.644 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.56 ' CG1' ' HD2' ' A' ' 838' ' ' LYS . 88.9 t 71.38 -50.61 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 123.024 0.53 . . . . 1.7 112.003 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.689 ' CE3' HG13 ' A' ' 785' ' ' VAL . 51.5 m0 71.08 124.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.271 0.628 . . . . 0.5 111.507 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -83.92 47.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.978 -0.451 . . . . 2.06 110.8 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.426 ' HD1' HD23 ' A' ' 794' ' ' LEU . 25.5 t80 69.65 -47.48 0.6 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.094 0.958 . . . . 0.47 112.274 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 796' ' ' MET . 54.1 m-20 -60.84 -40.09 91.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.663 0.268 . . . . 1.86 110.628 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -61.91 -41.26 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.314 0.578 . . . . 1.36 110.236 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.4 tp -62.42 -43.86 97.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.872 -1.058 . . . . 0.22 110.198 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.28 -42.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.51 110.849 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.513 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.1 mtp -59.46 -44.8 92.9 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 2.69 111.133 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.63 96.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.052 0.453 . . . . 0.27 110.359 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 794' ' ' LEU . 77.4 mt -60.23 -47.48 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.423 -0.808 . . . . 0.67 110.689 176.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.82 -43.29 98.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 1.21 111.367 -177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 13.4 t -67.38 -50.43 59.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.874 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -68.93 -51.04 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.657 0.614 . . . . 1.95 112.657 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.631 0.253 . . . . 1.56 110.472 179.499 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.0 Cg_exo . . . . . 0 N--CA 1.463 -0.267 0 CA-C-O 120.656 0.19 . . . . 0.88 111.984 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 70.83 -16.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.512 0.725 . . . . 1.67 110.985 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.498 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 0.0 OUTLIER 58.29 11.52 1.63 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.271 1.029 . . . . 1.9 111.72 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.679 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.5 mmpt? -106.41 37.74 2.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.793 -0.817 . . . . 2.52 108.793 173.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -72.05 152.22 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.885 -1.052 . . . . 1.06 111.527 -173.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.966 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.8 mttt -126.55 146.06 50.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.712 -1.585 . . . . 1.35 107.478 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.686 ' HD2' HD12 ' A' ' 828' ' ' LEU . 7.3 p90 -126.25 143.85 51.0 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.654 0.74 . . . . 0.3 109.734 -175.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.914 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.2 tt0 -128.47 141.05 51.51 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.038 -1.437 . . . . 1.08 109.057 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.446 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 3.5 p30 -126.41 139.88 52.92 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.914 -0.585 . . . . 1.73 110.012 -171.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 56.21 19.92 4.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.615 -1.175 . . . . 3.38 110.72 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.44 ' HA ' HE21 ' A' ' 819' ' ' GLN . 27.1 t70 54.29 44.25 29.3 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.217 -0.901 . . . . 5.63 110.878 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -147.31 -27.09 0.08 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 119.882 -1.151 . . . . 1.39 114.401 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 1.8 m-20 -127.23 145.88 50.61 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 117.627 0.713 . . . . 1.47 110.506 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.36 128.94 47.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.577 0.703 . . . . 1.16 110.943 -172.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.3 148.98 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.455 -1.248 . . . . 1.35 109.009 -172.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.872 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 7.4 p -123.31 138.65 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 121.445 -0.784 . . . . 1.22 110.996 -169.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -133.61 168.88 17.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.173 -0.921 . . . . 1.03 110.837 -173.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -172.03 -35.37 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.797 -0.716 . . . . 1.2 111.93 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.0 p -79.04 -74.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.572 0.225 . . . . 1.93 111.244 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t70 179.64 -45.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.069 -0.514 . . . . 1.79 110.552 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 832' ' ' GLU . 5.3 mp0 -52.63 -45.85 66.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.363 -0.835 . . . . 2.93 111.94 -174.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 836' ' ' VAL . 56.8 m-20 -66.25 -37.73 86.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.444 . . . . 2.14 111.169 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.644 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 18.5 t-105 -67.83 -40.46 83.77 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.549 -0.46 . . . . 0.26 109.783 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.549 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.3 t30 -58.69 -47.27 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 2.0 111.188 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 833' ' ' ASP . 7.4 p -65.24 -36.56 78.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 120.817 -0.353 . . . . 1.36 110.576 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.1 -51.66 68.68 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.562 0.22 . . . . 0.19 111.245 176.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 49.0 mtmt -56.68 -47.81 79.04 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.253 -0.431 . . . . 1.22 110.708 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.42 -44.68 95.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.671 -0.695 . . . . 2.22 110.708 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.446 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.9 ttp -53.55 -50.64 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.716 -0.675 . . . . 0.76 111.182 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 24.7 mt -59.68 -57.25 13.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 0.62 110.974 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.95 82.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.817 -0.629 . . . . 0.61 112.236 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -65.44 -52.11 55.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.517 . . . . 2.92 111.313 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.0 m-80 -68.78 -58.6 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.061 -0.255 . . . . 1.53 111.28 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 19.4 p30 158.42 -30.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.955 0.785 . . . . 1.9 110.784 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.13 -178.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.924 1.083 . . . . 2.97 113.924 -169.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -164.43 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.649 -1.614 . . . . 2.4 109.932 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.22 123.72 17.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.632 -0.507 . . . . 0.54 109.632 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.2 tp -130.75 142.94 50.43 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.58 0.705 . . . . 0.56 109.806 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.914 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.3 m-80 -128.29 146.03 50.88 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.864 -1.162 . . . . 0.96 107.864 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.64 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.9 OUTLIER -125.96 124.74 66.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.981 -0.748 . . . . 0.35 108.981 -173.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.966 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.2 ttt85 -95.97 122.46 38.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.594 -0.73 . . . . 2.38 110.44 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 6.4 mp -114.38 63.58 0.66 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.959 -1.126 . . . . 1.56 107.959 169.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.829 ' HE2' ' HE3' ' A' ' 817' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.657 0 CA-C-N 113.396 -1.729 . . . . 1.77 111.899 -175.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.578 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 83.8 mt-10 . . . . . 0 CA--C 1.514 -0.439 0 CA-C-O 122.294 1.045 . . . . 3.25 109.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 779' ' ' GLU . 0.4 OUTLIER 170.04 128.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 112.592 -2.095 . . . . 0.75 108.904 176.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.436 ' N ' HD13 ' A' ' 780' ' ' ILE . 26.4 t80 -149.59 146.67 27.44 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.115 -1.069 . . . . 0.52 108.115 -175.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.7 t -126.3 132.87 51.56 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.385 0.612 . . . . 1.39 110.641 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.1 tp -150.14 148.18 28.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 113.932 -1.485 . . . . 0.83 109.065 -169.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.509 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 8.3 tp -125.02 118.63 26.64 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.21 -0.663 . . . . 1.53 109.21 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.517 HG11 ' HH2' ' A' ' 834' ' ' TRP . 24.8 m -64.8 132.82 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.013 -0.994 . . . . 1.1 111.408 -172.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -94.54 -116.64 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.4 -0.818 . . . . 3.06 110.81 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.1 OUTLIER -73.6 42.77 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.439 0.533 . . . . 1.8 112.439 -176.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.25 81.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.562 0.696 . . . . 1.7 110.953 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.453 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 26.6 m0 -63.96 138.0 58.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.151 -0.931 . . . . 0.5 112.479 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 41.37 0.86 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.052 -0.522 . . . . 2.06 110.68 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.482 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.8 t80 68.96 -51.87 0.58 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.658 0.783 . . . . 0.47 111.933 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.47 -43.16 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 1.86 109.965 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 796' ' ' MET . 3.1 m-20 -62.08 -41.49 98.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.186 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -64.01 -42.73 97.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.085 -0.962 . . . . 0.22 110.499 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 791' ' ' PHE . 28.3 mm -61.54 -51.03 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.458 -0.337 . . . . 0.51 111.668 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 27.0 ptm -62.64 -36.62 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.138 -0.225 . . . . 2.69 110.405 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 801' ' ' LYS . . . -62.38 -51.25 68.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.27 110.454 175.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 794' ' ' LEU . 94.0 mt -53.85 -50.67 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.196 0.522 . . . . 0.67 110.879 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.465 HD22 ' HA ' ' A' ' 799' ' ' ASN . 1.8 m120 -58.17 -51.24 70.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.356 -0.838 . . . . 1.21 111.941 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 29.7 t -65.43 -39.25 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.275 -0.42 . . . . 1.29 111.387 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 797' ' ' ALA . 29.0 mmmt -68.05 -42.26 80.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.341 -0.224 . . . . 1.95 111.151 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.661 0.267 . . . . 1.56 111.409 -178.494 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 814' ' ' THR . 1.6 Cg_endo . . . . . 0 N--CA 1.459 -0.534 0 CA-C-O 120.714 0.214 . . . . 0.88 111.686 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 815' ' ' LYS . 35.6 mm 73.21 -14.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.78 -0.646 . . . . 1.67 111.591 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 27.8 p 70.46 -29.63 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 1.9 111.707 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.5 OUTLIER -75.58 67.35 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.792 -0.448 . . . . 2.52 109.792 173.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.9 pt -99.65 139.67 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 122.212 1.006 . . . . 1.06 111.845 -174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.657 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 79.8 mttt -127.8 146.65 50.53 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.722 -1.581 . . . . 1.35 108.294 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.5 p90 -126.74 145.14 50.71 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.331 0.586 . . . . 0.3 109.849 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.9 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 7.0 tt0 -128.15 143.19 51.03 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.951 -1.022 . . . . 1.08 109.313 -176.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.71 144.46 50.92 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.247 -0.649 . . . . 1.73 109.247 -176.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 84.9 mt-10 62.94 9.14 3.54 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.25 -0.886 . . . . 3.38 112.073 -175.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.1 t0 57.58 50.59 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 5.63 110.131 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -158.71 -24.94 0.03 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.226 -0.988 . . . . 1.39 114.088 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 35.8 t70 -127.8 145.4 50.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.427 0.614 . . . . 1.47 110.325 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -125.28 131.84 53.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.707 0.765 . . . . 1.16 110.996 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 23.9 t -137.79 149.21 25.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.304 -1.316 . . . . 1.35 108.329 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.657 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 11.9 p -123.4 133.77 68.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.238 -0.653 . . . . 1.22 109.238 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.1 pp -128.51 156.79 42.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.347 -0.842 . . . . 1.03 111.535 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -171.59 -30.01 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 1.2 112.054 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.6 m -82.34 14.52 2.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.771 -0.252 . . . . 1.93 111.451 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.01 -45.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.759 0.824 . . . . 1.79 112.385 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.754 ' HA ' HD22 ' A' ' 835' ' ' ASN . 39.3 mm-40 -57.98 -36.07 72.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 2.93 111.081 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 1.6 m-20 -56.18 -40.32 73.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.918 -0.583 . . . . 2.14 110.669 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.517 ' HH2' HG11 ' A' ' 785' ' ' VAL . 33.1 t-105 -64.96 -41.78 95.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.26 110.654 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.754 HD22 ' HA ' ' A' ' 832' ' ' GLU . 76.3 m-20 -58.6 -41.68 86.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.263 -0.426 . . . . 2.0 110.072 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.18 -45.05 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.708 . . . . 1.36 110.664 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.85 -47.22 87.34 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.66 0.244 . . . . 0.19 111.66 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 7.4 mtmp? -57.76 -50.38 73.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.083 0.468 . . . . 1.22 110.723 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -41.19 98.3 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.368 -0.833 . . . . 2.22 110.152 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 38.2 ttp -52.33 -51.08 60.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.069 -0.514 . . . . 0.76 110.575 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 25.8 mt -59.7 -57.49 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.62 110.96 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.96 76.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.697 -0.683 . . . . 0.61 112.621 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -50.09 65.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 2.92 111.197 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.7 m120 -68.69 -59.18 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 1.53 110.987 -176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 20.7 p30 152.34 -26.5 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.053 0.941 . . . . 1.9 110.026 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 13.7 tp10 -67.41 168.98 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.791 . . . . 2.97 111.728 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.509 ' HG2' ' HG ' ' A' ' 784' ' ' LEU . 36.6 ttmt -154.65 -22.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.957 -0.565 . . . . 2.4 110.96 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.55 124.32 19.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.261 -0.274 . . . . 0.54 110.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 819' ' ' GLN . 18.9 tp -128.9 145.34 51.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.598 . . . . 0.56 110.606 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.9 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.6 m-80 -133.76 145.27 49.65 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.942 -0.762 . . . . 0.96 108.942 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -128.17 129.99 69.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.634 0.254 . . . . 0.35 110.764 -176.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 779' ' ' GLU . 74.8 ttt180 -112.68 118.75 35.9 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.853 -0.339 . . . . 2.38 111.035 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.586 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -111.99 133.82 53.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.019 -1.104 . . . . 1.56 108.019 168.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 817' ' ' LYS . 32.2 p90 . . . . . 0 C--N 1.314 -0.973 0 CA-C-O 118.378 -0.82 . . . . 1.77 110.907 -165.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 1.6 pm0 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 121.371 0.605 . . . . 3.25 110.15 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -100.08 138.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.929 -1.032 . . . . 0.75 109.484 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.491 ' HD2' HG13 ' A' ' 851' ' ' ILE . 12.2 t80 -128.15 145.32 51.06 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.243 -0.651 . . . . 0.52 109.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.7 m -127.06 131.44 50.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.408 -0.59 . . . . 1.39 109.408 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.64 146.28 27.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.043 -0.98 . . . . 0.83 109.975 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.92 118.68 25.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.23 -0.656 . . . . 1.53 109.23 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.486 HG11 ' HH2' ' A' ' 834' ' ' TRP . 10.8 m -68.16 129.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 1.1 111.033 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 787' ' ' LYS . 27.1 tp10 -95.45 -108.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.791 -0.64 . . . . 3.06 111.109 -173.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.654 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER -76.12 47.43 0.45 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.176 0.436 . . . . 1.8 112.176 -175.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 22.5 t 57.56 70.27 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.327 0.584 . . . . 1.7 110.781 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 40.8 m0 -55.79 134.64 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.5 111.563 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -94.82 48.47 1.2 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 2.06 110.65 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.449 ' O ' HG12 ' A' ' 795' ' ' ILE . 18.9 t80 71.18 -53.27 0.68 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.682 0.793 . . . . 0.47 111.578 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.79 -42.04 96.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 1.86 110.171 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 796' ' ' MET . 43.5 m-20 -63.93 -41.91 97.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.59 0.709 . . . . 1.36 110.674 176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 798' ' ' ILE . 2.6 tp -63.69 -40.73 97.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.078 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 791' ' ' PHE . 34.5 mm -64.91 -45.87 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.543 177.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 25.5 ptm -61.91 -36.91 82.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.982 -0.287 . . . . 2.69 110.546 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.51 88.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.009 0.433 . . . . 0.27 110.353 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 794' ' ' LEU . 78.2 mt -59.2 -46.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.665 -0.698 . . . . 0.67 110.678 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -59.32 -47.99 83.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 1.21 111.828 -175.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.3 p -68.41 -47.75 66.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.758 0.313 . . . . 1.29 111.495 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.87 -45.25 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.778 0.658 . . . . 1.95 112.778 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 798' ' ' ILE . 42.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.308 . . . . 1.56 110.476 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.411 ' C ' ' H ' ' A' ' 814' ' ' THR . 8.0 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.965 0.319 . . . . 0.88 111.659 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm 71.4 -10.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.48 -0.782 . . . . 1.67 110.847 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.517 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 52.3 p 59.96 11.42 2.61 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.409 1.084 . . . . 1.9 111.244 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.73 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -111.95 47.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 2.52 109.603 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 828' ' ' LEU . 34.2 pt -84.52 141.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.742 0.782 . . . . 1.06 111.115 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -126.71 143.79 51.13 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.958 -1.497 . . . . 1.35 106.958 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CD2' HD23 ' A' ' 828' ' ' LEU . 12.0 p90 -126.54 147.45 49.86 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.338 0.59 . . . . 0.3 110.406 -164.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.012 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.8 tt0 -126.3 144.85 50.65 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.525 -1.216 . . . . 1.08 108.867 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 0.2 OUTLIER -126.55 148.12 49.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.269 -0.878 . . . . 1.73 109.601 -170.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -32.58 -36.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.058 1.743 . . . . 3.38 113.675 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.18 -31.47 71.21 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.219 0.533 . . . . 5.63 111.272 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 105.75 48.75 1.0 Allowed Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.876 -0.889 . . . . 1.39 110.876 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 36.9 t70 -134.89 149.4 50.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.293 -0.453 . . . . 1.47 111.11 -171.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -123.59 129.4 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 122.034 0.921 . . . . 1.16 110.911 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 75.1 t -141.34 148.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 113.863 -1.517 . . . . 1.35 107.91 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.6 p -123.15 135.49 62.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 118.323 0.51 . . . . 1.22 109.665 -172.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.685 HD11 HD11 ' A' ' 816' ' ' ILE . 4.4 pp -128.86 156.85 43.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.03 -0.986 . . . . 1.03 111.866 -166.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 171.56 32.28 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.258 -0.883 . . . . 1.2 112.043 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -154.92 27.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.723 0.262 . . . . 1.93 110.917 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.63 -54.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.43 0.692 . . . . 1.79 112.775 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -56.87 -44.46 82.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.927 0.491 . . . . 2.93 110.62 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -47.37 76.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.79 . . . . 2.14 111.037 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.486 ' HH2' HG11 ' A' ' 785' ' ' VAL . 31.8 t-105 -63.19 -39.57 95.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 0.26 110.944 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.505 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 49.2 t30 -59.49 -40.69 87.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.984 -0.287 . . . . 2.0 110.319 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.18 -45.52 95.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 1.36 110.43 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.632 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.13 -48.86 77.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.675 0.274 . . . . 0.19 111.117 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.505 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 9.2 mtmp? -58.84 -49.94 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 1.22 110.972 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.06 -44.2 91.79 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.024 -0.534 . . . . 2.22 110.289 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 837' ' ' ALA . 36.2 ttp -52.51 -54.02 38.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.76 111.164 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 1.018 ' HA ' ' HG2' ' A' ' 846' ' ' GLU . 25.1 mt -58.94 -57.78 11.54 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.306 0.574 . . . . 0.62 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.25 84.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.554 -0.748 . . . . 0.61 112.628 -173.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.39 -52.04 37.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.975 -0.29 . . . . 2.92 111.482 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 75.6 m-80 -69.5 -58.23 4.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.178 -0.609 . . . . 1.53 111.453 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 16.8 p30 158.73 -27.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.123 0.569 . . . . 1.9 110.783 176.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 1.018 ' HG2' ' HA ' ' A' ' 841' ' ' LEU . 3.6 pm0 -59.46 168.97 1.37 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.668 0.747 . . . . 2.97 112.819 -174.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 847' ' ' LYS . 0.4 OUTLIER -153.35 -28.19 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.112 -0.949 . . . . 2.4 110.15 178.408 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.482 ' HE2' HD21 ' A' ' 850' ' ' ASN . 5.4 t80 -57.19 127.82 33.86 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.54 110.576 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.7 tp -130.45 138.94 50.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 0.56 110.002 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.92 146.61 50.9 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.59 -0.893 . . . . 0.96 108.59 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.491 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -126.29 124.79 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.441 -0.577 . . . . 0.35 109.441 -177.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.501 ' NE ' ' HB3' ' A' ' 854' ' ' TYR . 75.7 ttt180 -102.93 129.97 49.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.329 -0.85 . . . . 2.38 110.479 -178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.636 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 10.0 mt -109.83 74.07 0.87 Allowed 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.468 -0.938 . . . . 1.56 108.468 166.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.501 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-N 114.386 -1.279 . . . . 1.77 112.184 -172.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 3.25 109.304 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.49 140.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.457 0.646 . . . . 0.75 109.907 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.607 ' HE2' HD13 ' A' ' 798' ' ' ILE . 20.5 t80 -127.67 145.89 50.74 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.52 108.818 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.662 HG22 ' OD1' ' A' ' 850' ' ' ASN . 16.3 p -126.14 128.38 47.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.109 0.48 . . . . 1.39 109.717 -173.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 30.3 tp -149.55 147.61 28.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.993 -1.003 . . . . 0.83 109.629 -170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 848' ' ' PHE . 8.3 tp -125.83 112.75 16.38 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.696 -0.853 . . . . 1.53 108.696 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.488 HG12 ' CZ3' ' A' ' 789' ' ' TRP . 30.6 m -64.83 112.39 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 1.1 109.953 -174.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.63 -35.88 81.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.059 -0.973 . . . . 3.06 110.222 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 -165.66 0.92 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.919 -1.037 . . . . 1.8 108.232 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.2 119.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.244 0.545 . . . . 1.7 110.091 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.488 ' CZ3' HG12 ' A' ' 785' ' ' VAL . 14.2 m0 -110.96 122.04 46.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.511 -0.768 . . . . 0.5 109.821 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -80.29 41.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.891 0.377 . . . . 2.06 110.869 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 27.5 t80 69.42 -45.15 0.56 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.269 1.028 . . . . 0.47 111.97 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -61.73 -44.13 97.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.393 0.14 . . . . 1.86 110.664 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -59.91 -46.9 87.89 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.518 0.675 . . . . 1.36 109.957 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 798' ' ' ILE . 7.1 tp -59.46 -50.19 74.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.563 -1.198 . . . . 0.22 111.138 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.6 mm -66.45 -37.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.208 0.447 . . . . 0.51 112.208 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 70.7 mtm -61.25 -44.28 97.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.084 -0.339 . . . . 2.69 110.084 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.25 99.71 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.803 -0.635 . . . . 0.27 110.28 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 794' ' ' LEU . 31.4 mm -56.4 -58.16 6.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 CA-C-N 115.903 -0.59 . . . . 0.67 110.881 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.09 -46.26 88.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.539 . . . . 1.21 111.734 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.0 t -59.8 -52.01 67.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.172 -0.467 . . . . 1.29 110.741 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -68.44 -37.8 80.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.606 0.595 . . . . 1.95 112.606 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 798' ' ' ILE . 30.6 mm . . . . . 0 N--CA 1.468 0.469 0 CA-C-O 121.241 0.543 . . . . 1.56 109.926 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 853' ' ' LEU . 74.1 Cg_endo . . . . . 0 N--CA 1.46 -0.494 0 CA-C-O 120.978 0.324 . . . . 0.88 111.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 814' ' ' THR . 49.1 mm 71.29 -53.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.022 -0.99 . . . . 1.67 110.39 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 813' ' ' ILE . 2.5 t 176.78 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 1.9 109.585 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.416 ' CA ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -87.06 144.95 26.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.881 -0.6 . . . . 2.52 111.711 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 852' ' ' ARG . 15.4 pt -146.27 153.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.427 -0.806 . . . . 1.06 109.858 176.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.3 mtpt -127.75 146.08 50.7 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.991 -1.115 . . . . 1.35 107.991 174.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.706 ' HD2' HD12 ' A' ' 828' ' ' LEU . 11.9 p90 -126.67 146.03 50.35 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.495 0.664 . . . . 0.3 110.473 -171.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.059 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 17.8 tt0 -127.8 143.94 51.11 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.324 -1.307 . . . . 1.08 109.503 -174.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -126.07 135.99 52.41 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.406 0.441 . . . . 1.73 109.986 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.5 tp10 55.43 25.35 7.62 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.01 -1.45 . . . . 3.38 110.589 -173.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.456 ' HA ' HE21 ' A' ' 819' ' ' GLN . 19.6 t70 51.16 40.09 25.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.023 -0.99 . . . . 5.63 110.763 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -129.2 -40.12 0.29 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.179 -1.01 . . . . 1.39 113.784 -173.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 2.2 m-20 -128.14 147.06 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.304 0.552 . . . . 1.47 111.674 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.933 ' HD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.73 131.95 53.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.528 0.68 . . . . 1.16 110.369 -172.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.16 150.78 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 113.674 -1.603 . . . . 1.35 108.366 -169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.742 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.8 p -121.4 134.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.156 -0.965 . . . . 1.22 111.009 -166.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.706 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -139.37 159.41 42.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.986 -1.461 . . . . 1.03 110.572 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.14 45.24 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.53 -0.843 . . . . 1.2 112.529 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 34.0 t -144.37 -74.91 0.24 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.786 -0.365 . . . . 1.93 110.578 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 27.4 t70 175.93 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 1.79 109.895 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 836' ' ' VAL . 34.0 tt0 -58.64 -44.79 90.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 2.93 110.424 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.484 ' CG ' ' HB2' ' A' ' 828' ' ' LEU . 1.5 p30 -57.22 -47.82 80.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 2.14 111.611 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.448 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 28.8 t-105 -66.18 -38.08 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.157 -0.217 . . . . 0.26 110.725 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -59.37 -42.24 91.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 110.34 -0.244 . . . . 2.0 110.34 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 832' ' ' GLU . 75.2 t -59.63 -45.52 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 1.36 110.413 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.29 -51.95 67.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.657 -0.247 . . . . 0.19 111.111 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.448 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 31.3 mtmm -58.39 -47.48 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.592 -0.276 . . . . 1.22 111.506 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.42 -41.96 98.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.639 -0.255 . . . . 2.22 110.691 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -56.52 -52.57 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.261 -0.427 . . . . 0.76 110.683 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.42 -57.84 11.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.186 0.517 . . . . 0.62 111.334 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.18 81.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.61 112.23 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -68.58 -51.12 46.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.492 -0.322 . . . . 2.92 111.189 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.6 m120 -69.17 -58.28 4.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.853 -0.339 . . . . 1.53 111.588 -175.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 7.6 p30 158.08 -31.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.884 0.74 . . . . 1.9 109.715 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 31.4 mp0 -55.5 159.47 2.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.613 -0.721 . . . . 2.97 112.421 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -153.13 -25.8 0.15 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.76 -0.654 . . . . 2.4 110.929 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 784' ' ' LEU . 13.9 t80 -65.74 131.26 45.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.056 -0.35 . . . . 0.54 110.056 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.606 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 13.2 tp -128.64 145.01 51.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.603 0.716 . . . . 0.56 110.325 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.059 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.5 m-80 -128.49 145.09 51.21 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.884 -1.154 . . . . 0.96 107.884 177.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -127.62 129.22 70.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.715 -0.394 . . . . 0.35 110.296 -172.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 55.5 ttt180 -106.99 124.43 49.61 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 116.119 -0.492 . . . . 2.38 110.424 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -119.75 138.1 53.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.618 -0.882 . . . . 1.56 108.618 170.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.577 ' HD2' ' HG2' ' A' ' 852' ' ' ARG . 35.9 p90 . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 118.392 -0.814 . . . . 1.77 110.201 -167.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 43.0 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.945 0.402 . . . . 3.25 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.3 tp -113.88 134.94 55.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.736 -0.665 . . . . 0.75 110.196 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HD2' HG13 ' A' ' 851' ' ' ILE . 27.6 t80 -128.68 146.84 50.76 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.76 -0.83 . . . . 0.52 108.76 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 98.5 m -126.1 127.17 45.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.384 0.611 . . . . 1.39 109.937 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 22.6 tp -149.82 146.54 27.2 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.395 -1.275 . . . . 0.83 108.743 -172.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 847' ' ' LYS . 4.8 tt -126.85 119.83 27.75 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 119.953 -0.699 . . . . 1.53 109.649 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -65.51 132.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.705 -1.134 . . . . 1.1 111.978 -170.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -86.86 -120.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 3.06 110.788 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.89 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -73.11 53.76 0.38 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.332 -0.849 . . . . 1.8 112.225 -178.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 21.4 t 56.05 74.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.366 0.603 . . . . 1.7 111.142 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 35.9 m0 -57.92 129.65 42.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.5 -0.773 . . . . 0.5 111.9 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -84.19 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.353 0.596 . . . . 2.06 110.531 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 15.8 t80 69.16 -53.23 0.59 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.938 0.895 . . . . 0.47 112.484 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.77 -40.88 94.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.838 0.351 . . . . 1.86 110.691 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 796' ' ' MET . 1.1 m-20 -65.16 -40.18 93.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 1.36 110.41 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 798' ' ' ILE . 6.3 tp -64.02 -44.93 91.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.22 110.509 176.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.8 mm -60.07 -50.8 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.51 111.596 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -64.07 -36.68 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.194 -0.202 . . . . 2.69 110.903 -177.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.74 87.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.885 0.374 . . . . 0.27 110.288 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.438 HD13 HG21 ' A' ' 851' ' ' ILE . 85.7 mt -60.98 -46.21 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.67 110.524 175.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.653 HD21 ' HD3' ' A' ' 812' ' ' PRO . 3.7 m120 -62.5 -39.78 94.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.741 . . . . 1.21 112.062 -176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 p -69.21 -40.32 78.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 1.29 110.552 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -68.06 -57.48 6.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 1.95 112.022 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 63.1 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 1.56 110.186 -179.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.653 ' HD3' HD21 ' A' ' 799' ' ' ASN . 28.0 Cg_exo . . . . . 0 CA--C 1.512 -0.588 0 CA-C-O 120.866 0.277 . . . . 0.88 111.828 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.841 HG22 HG22 ' A' ' 814' ' ' THR . 48.3 mm 70.7 -67.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.796 -1.093 . . . . 1.67 109.394 -171.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.841 HG22 HG22 ' A' ' 813' ' ' ILE . 2.8 t 168.27 -46.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.275 -0.875 . . . . 1.9 109.755 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 814' ' ' THR . 24.5 mmmt -104.52 -44.05 5.0 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.495 . . . . 2.52 110.42 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 815' ' ' LYS . 1.4 pt 71.3 149.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 124.963 1.415 . . . . 1.06 110.855 -173.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 1.002 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 18.2 ttmm -127.47 145.81 50.71 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.226 -1.398 . . . . 1.35 107.226 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.1 p90 -126.81 146.55 50.22 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.226 0.536 . . . . 0.3 110.323 -170.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.01 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.4 tt0 -127.55 146.16 50.61 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.531 -1.213 . . . . 1.08 108.758 -173.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.577 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 2.8 p30 -125.77 146.33 49.82 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.418 -0.586 . . . . 1.73 109.418 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.7 tp10 -38.72 -40.01 0.56 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.722 -1.126 . . . . 3.38 113.249 -170.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.17 -31.81 65.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 5.63 111.392 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 113.81 47.95 0.6 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.571 -0.612 . . . . 1.39 111.571 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.577 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 33.6 t70 -128.58 147.9 50.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.687 -0.256 . . . . 1.47 110.903 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.59 126.13 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.644 0.735 . . . . 1.16 109.951 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 44.7 t -136.4 147.88 27.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.408 -1.269 . . . . 1.35 108.38 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.79 139.07 51.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 108.73 -0.841 . . . . 1.22 108.73 -175.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.545 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.8 pp -128.0 156.62 42.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.559 -0.746 . . . . 1.03 111.97 -166.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.73 -33.37 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 114.951 -1.022 . . . . 1.2 111.365 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -83.89 12.89 5.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.648 0.24 . . . . 1.93 111.648 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.69 -47.64 0.65 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.405 0.682 . . . . 1.79 111.705 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 836' ' ' VAL . 81.9 mt-10 -54.59 -36.87 64.88 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.898 0.479 . . . . 2.93 111.39 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -57.31 -44.01 83.76 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.472 0.654 . . . . 2.14 110.037 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 27.4 t-105 -65.14 -39.75 93.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.495 -0.775 . . . . 0.26 110.86 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.481 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.6 t30 -58.8 -41.39 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.094 -0.336 . . . . 2.0 110.094 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 832' ' ' GLU . 95.6 t -58.83 -45.67 91.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.516 -0.765 . . . . 1.36 110.426 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.674 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.1 -49.03 78.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.19 111.458 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 50.4 mtmt -55.0 -49.57 71.17 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.726 0.298 . . . . 1.22 111.037 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.13 -39.97 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.665 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.574 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.2 ttp -55.92 -55.36 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.494 . . . . 0.76 111.044 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 15.4 mt -55.57 -55.72 28.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.425 . . . . 0.62 110.768 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.88 62.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.661 -0.7 . . . . 0.61 112.681 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.1 -44.81 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.509 0.195 . . . . 2.92 111.379 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.5 m120 -68.12 -57.63 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.889 -0.325 . . . . 1.53 110.612 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.646 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 8.1 p30 140.88 -26.31 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.899 1.375 . . . . 1.9 108.433 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 78.9 mt-10 -78.16 88.45 4.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.419 -1.264 . . . . 2.97 110.977 -171.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 13.0 ttmm -81.69 -5.88 58.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.642 -0.708 . . . . 2.4 110.567 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.7 t80 -67.06 126.31 28.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.073 -0.512 . . . . 0.54 110.478 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 819' ' ' GLN . 29.3 tp -128.1 141.27 51.54 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.56 110.521 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.01 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -129.02 147.01 50.85 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.075 -1.083 . . . . 0.96 108.075 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.523 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -125.9 125.33 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.293 0.568 . . . . 0.35 109.973 -173.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 1.002 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 7.3 tpt180 -90.47 132.66 35.53 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.85 -1.068 . . . . 2.38 111.138 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 779' ' ' GLU . 1.2 mm? -116.0 136.84 52.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.776 -1.194 . . . . 1.56 107.776 166.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.211 -0.9 . . . . 1.77 110.307 -166.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 109.274 -0.639 . . . . 3.25 109.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.0 tp -83.7 138.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 N-CA-C 109.468 -0.568 . . . . 0.75 109.468 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' A' ' 851' ' ' ILE . 17.5 t80 -127.3 145.39 50.81 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.893 -0.78 . . . . 0.52 108.893 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.2 m -126.65 129.76 49.12 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.695 -0.483 . . . . 1.39 109.695 -174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.7 tp -149.33 145.07 26.83 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.871 -1.058 . . . . 0.83 109.114 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.695 HD21 ' HD2' ' A' ' 847' ' ' LYS . 7.0 tt -128.59 113.64 15.69 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.743 -0.836 . . . . 1.53 108.743 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 22.6 m -63.29 105.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.306 -0.861 . . . . 1.1 111.088 -169.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.29 -41.97 72.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.108 -0.951 . . . . 3.06 111.603 -171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.634 ' HD2' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -140.04 50.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.961 0.41 . . . . 1.8 110.557 176.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.878 HG22 ' HD2' ' A' ' 838' ' ' LYS . 1.2 p 65.49 -41.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.565 1.546 . . . . 1.7 113.43 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.634 ' CD1' ' HD2' ' A' ' 787' ' ' LYS . 30.6 m0 66.79 126.66 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.47 0.652 . . . . 0.5 112.153 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -84.49 42.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.917 -0.583 . . . . 2.06 110.641 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 34.6 t80 72.28 -50.14 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.202 -0.908 . . . . 0.47 112.033 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.14 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 1.86 110.669 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -67.99 -40.05 83.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.912 -0.586 . . . . 1.36 110.415 176.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.7 tp -61.45 -41.75 97.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.602 -0.726 . . . . 0.22 110.355 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.15 -51.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.51 111.849 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -62.32 -36.39 82.03 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.955 -0.298 . . . . 2.69 110.375 -179.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.247 -0.433 . . . . 0.27 110.335 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 794' ' ' LEU . 68.0 mt -60.69 -51.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.67 110.781 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -55.8 -50.74 69.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.576 -0.738 . . . . 1.21 111.759 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 19.5 m -65.25 -45.56 84.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.29 111.413 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -68.13 -43.5 78.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.457 0.54 . . . . 1.95 112.457 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 25.0 mt . . . . . 0 C--N 1.333 -0.15 0 C-N-CA 120.876 -0.33 . . . . 1.56 110.619 -178.871 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.568 ' HB2' ' CG2' ' A' ' 816' ' ' ILE . 3.7 Cg_exo . . . . . 0 N--CA 1.462 -0.381 0 CA-C-O 121.074 0.364 . . . . 0.88 111.829 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 813' ' ' ILE . 11.6 mm 66.63 0.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.281 -0.872 . . . . 1.67 111.223 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.442 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 30.8 p 53.96 25.75 5.69 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.324 0.65 . . . . 1.9 110.491 -174.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 814' ' ' THR . 3.4 tppt? -144.18 40.95 1.37 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.022 -0.535 . . . . 2.52 110.431 -172.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 812' ' ' PRO . 33.4 pt -73.39 154.03 7.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.692 -0.685 . . . . 1.06 110.981 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 37.2 tttp -125.77 143.59 50.99 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 106.605 -1.628 . . . . 1.35 106.605 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 6.8 p90 -126.49 145.29 50.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.693 0.759 . . . . 0.3 110.27 -169.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.98 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.67 147.7 50.76 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.863 -1.517 . . . . 1.08 109.689 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.451 ' HB2' ' HE1' ' A' ' 840' ' ' MET . 5.3 t70 -123.79 143.6 50.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.92 -0.771 . . . . 1.73 108.92 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.3 tp10 -45.8 -35.76 4.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.531 -0.759 . . . . 3.38 112.485 -171.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.69 -39.87 68.56 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.133 0.492 . . . . 5.63 110.9 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 123.96 53.78 0.19 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.665 -0.698 . . . . 1.39 111.395 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.556 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 41.6 t0 -128.73 144.92 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.262 -0.175 . . . . 1.47 110.713 -176.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 5.7 m-85 -128.11 126.8 41.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.111 0.482 . . . . 1.16 110.304 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 58.7 t -147.07 148.91 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.993 -1.114 . . . . 1.35 107.993 -176.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.49 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 12.3 p -123.35 137.38 56.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.722 -0.844 . . . . 1.22 108.722 -174.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.34 153.61 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.217 0.821 . . . . 1.03 113.217 -164.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.87 38.64 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.585 -1.188 . . . . 1.2 111.791 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 9.8 m -156.19 29.18 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.633 0.235 . . . . 1.93 111.633 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 65.45 -59.92 0.27 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.566 0.95 . . . . 1.79 113.566 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 835' ' ' ASN . 13.2 tp10 -61.59 -32.6 72.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.909 0.385 . . . . 2.93 111.254 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.55 -42.51 95.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 2.14 111.033 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.538 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 27.4 t-105 -67.42 -38.27 84.33 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.486 -0.486 . . . . 0.26 109.843 172.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 3.5 m120 -57.33 -48.53 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 2.0 111.225 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.66 -36.14 76.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.974 -0.29 . . . . 1.36 110.831 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.52 -45.48 93.69 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.681 -0.407 . . . . 0.19 110.447 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.878 ' HD2' HG22 ' A' ' 788' ' ' VAL . 48.2 mtmt -59.47 -45.19 92.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.297 . . . . 1.22 110.331 176.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 96.8 mt-10 -58.42 -46.89 85.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.021 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 820' ' ' ASP . 39.7 ttp -52.71 -51.29 61.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.55 -0.75 . . . . 0.76 110.606 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 50.3 mt -60.17 -52.84 63.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.866 -0.606 . . . . 0.62 111.394 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.73 85.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.229 0.455 . . . . 0.61 112.229 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.19 -52.9 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 2.92 111.165 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.6 m-80 -66.01 -34.81 78.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.914 -0.584 . . . . 1.53 110.83 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 98.0 -13.35 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.77 1.294 . . . . 1.9 109.888 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.22 141.07 49.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.97 109.577 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.695 ' HD2' HD21 ' A' ' 784' ' ' LEU . 20.3 ttmm -125.82 -13.03 6.47 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.029 0.442 . . . . 2.4 110.655 -170.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.599 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.5 t80 -66.23 124.83 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.497 -0.774 . . . . 0.54 110.286 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 819' ' ' GLN . 31.8 tp -128.51 140.85 51.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.785 -0.643 . . . . 0.56 109.407 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.98 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.1 m-80 -130.32 146.55 51.92 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.597 -0.89 . . . . 0.96 108.597 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.64 124.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.182 -0.673 . . . . 0.35 109.182 -175.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.654 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.3 ttt180 -99.91 116.37 31.81 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 115.773 -0.649 . . . . 2.38 109.97 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.73 57.26 2.49 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.661 -0.7 . . . . 1.56 109.89 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.392 -0.813 . . . . 1.77 111.114 -174.728 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 CA--C 1.51 -0.581 0 CA-C-O 122.329 1.061 . . . . 3.25 108.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -177.67 133.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 112.871 -1.968 . . . . 0.75 109.239 -176.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 12.0 t80 -150.15 146.71 27.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.746 -1.205 . . . . 0.52 107.746 -172.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.7 t -126.27 130.37 50.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.412 0.625 . . . . 1.39 110.497 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.8 tp -150.08 147.08 27.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.346 -1.297 . . . . 0.83 108.903 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.5 tt -126.45 115.69 19.97 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.417 -0.586 . . . . 1.53 109.417 -174.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.644 HG11 ' HH2' ' A' ' 834' ' ' TRP . 16.5 m -71.94 135.91 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.126 -0.943 . . . . 1.1 110.981 -174.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -121.89 -78.83 0.6 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.569 -0.453 . . . . 3.06 111.247 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 44.45 0.68 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.147 0.425 . . . . 1.8 112.147 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.7 t 43.47 63.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 123.629 0.58 . . . . 1.7 111.309 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 34.2 m0 -51.16 131.29 27.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.115 -0.948 . . . . 0.5 112.333 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . 0.414 ' H ' HD22 ' A' ' 790' ' ' ASN . 0.1 OUTLIER -83.74 42.08 0.83 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.201 0.524 . . . . 2.06 110.718 176.169 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.511 ' HD1' HD23 ' A' ' 794' ' ' LEU . 16.1 t80 71.76 -47.67 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.019 0.928 . . . . 0.47 111.47 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 796' ' ' MET . 38.4 t70 -57.58 -45.29 85.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.769 0.319 . . . . 1.86 110.416 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 18.2 m-20 -61.51 -47.52 85.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.708 -0.678 . . . . 1.36 110.321 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.5 tp -57.46 -48.92 77.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.711 -1.131 . . . . 0.22 110.703 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 795' ' ' ILE . 33.7 mm -64.08 -36.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.693 0.257 . . . . 0.51 111.693 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.5 mtp -58.09 -48.43 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.203 -0.295 . . . . 2.69 110.203 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.6 98.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.27 110.782 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 794' ' ' LEU . 36.3 mm -54.26 -57.53 5.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.747 -0.661 . . . . 0.67 110.895 177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.3 -43.54 90.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.424 -0.807 . . . . 1.21 112.218 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 68.8 m -60.48 -44.98 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 1.29 111.131 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -68.91 -40.35 79.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.084 -0.385 . . . . 1.95 111.85 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 798' ' ' ILE . 78.8 mt . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 111.914 0.339 . . . . 1.56 111.914 -177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo . . . . . 0 N--CA 1.465 -0.178 0 CA-C-O 121.011 0.338 . . . . 0.88 111.62 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 813' ' ' ILE . 32.5 mm 60.72 24.29 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.788 0.804 . . . . 1.67 109.624 -177.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.483 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 43.2 p 50.53 25.81 2.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.978 -1.01 . . . . 1.9 111.43 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 814' ' ' THR . 0.0 OUTLIER -128.89 116.1 18.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.67 -0.696 . . . . 2.52 109.963 -176.401 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 827' ' ' VAL . 5.7 pt -149.62 143.27 17.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.597 0.713 . . . . 1.06 111.127 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.84 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.4 mtpt -127.43 146.52 50.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.892 -1.049 . . . . 1.35 108.661 175.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.7 p90 -126.66 145.29 50.63 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.348 0.594 . . . . 0.3 110.326 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.983 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 14.0 tt0 -128.62 146.0 50.98 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.586 -1.188 . . . . 1.08 110.136 -172.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -124.9 138.79 54.23 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.914 -0.402 . . . . 1.73 109.914 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 53.78 24.89 4.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.376 -1.284 . . . . 3.38 112.042 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.517 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 23.6 t70 50.12 47.02 24.12 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.669 0.606 . . . . 5.63 110.941 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.57 -29.37 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.879 -1.153 . . . . 1.39 113.703 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 43.3 t0 -128.0 146.16 50.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.061 0.43 . . . . 1.47 110.213 -177.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.695 ' HD2' ' HE2' ' A' ' 817' ' ' LYS . 0.2 OUTLIER -125.25 132.96 52.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.543 0.687 . . . . 1.16 110.564 -176.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.08 149.17 14.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 113.696 -1.593 . . . . 1.35 108.464 -172.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.84 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.6 p -123.03 142.6 39.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.342 -0.849 . . . . 1.22 110.553 -168.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -128.65 157.91 40.0 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.201 -0.908 . . . . 1.03 110.541 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.31 -27.21 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.613 -0.804 . . . . 1.2 112.692 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 62.2 m -87.79 20.4 3.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.564 -0.374 . . . . 1.93 111.336 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 21.8 t70 69.76 -53.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.669 0.788 . . . . 1.79 112.675 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 836' ' ' VAL . 48.7 tp10 -53.6 -37.95 63.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.924 0.392 . . . . 2.93 111.235 -177.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -52.98 -40.9 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 2.14 110.78 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.644 ' HH2' HG11 ' A' ' 785' ' ' VAL . 29.1 t-105 -64.53 -44.39 91.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.26 111.212 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.473 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 36.9 t30 -61.59 -36.65 81.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.697 -0.483 . . . . 2.0 109.697 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 832' ' ' GLU . 57.3 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 1.36 110.567 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.564 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.82 -46.84 88.97 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.669 -0.241 . . . . 0.19 110.978 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.499 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 48.6 mtmt -56.66 -50.66 71.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.58 0.229 . . . . 1.22 111.091 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.33 -40.11 93.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.173 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 40.3 ttp -54.39 -56.79 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.705 -0.68 . . . . 0.76 110.551 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 13.0 mt -61.31 -58.17 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.62 111.593 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.59 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.491 -0.777 . . . . 0.61 112.503 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.73 -53.24 23.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.907 -0.317 . . . . 2.92 111.522 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 73.5 m-20 -69.47 -58.31 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.359 -0.536 . . . . 1.53 112.344 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 3.8 p30 164.99 -29.81 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.287 0.367 . . . . 1.9 110.927 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' ' 844' ' ' ASN . 45.8 mp0 -60.23 168.82 1.83 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.736 -0.665 . . . . 2.97 112.301 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -162.78 -31.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 2.4 110.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -65.35 124.83 23.28 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.018 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.0 tp -128.55 143.79 51.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.317 0.58 . . . . 0.56 110.334 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.983 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 69.4 m-80 -128.96 145.4 51.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.635 -0.711 . . . . 0.96 109.142 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.75 130.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.003 -0.369 . . . . 0.35 110.003 -171.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.603 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 58.4 ttt180 -107.45 132.78 52.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.41 -0.516 . . . . 2.38 111.127 175.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.79 140.74 34.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.481 -1.303 . . . . 1.56 107.481 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 22.7 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.46 -0.781 . . . . 1.77 110.605 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 39.6 mt-10 . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.158 -0.682 . . . . 3.25 109.158 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -106.8 130.62 58.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.509 0.671 . . . . 0.75 110.253 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.694 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.9 t80 -128.65 146.42 50.87 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.012 -0.994 . . . . 0.52 108.878 -177.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 65.2 m -126.79 126.3 43.16 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.179 0.514 . . . . 1.39 109.967 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 784' ' ' LEU . 33.9 tp -150.21 145.84 26.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.563 -1.199 . . . . 0.83 109.213 -170.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.801 HD23 ' HE3' ' A' ' 847' ' ' LYS . 8.0 mp -128.16 129.52 46.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.232 -0.655 . . . . 1.53 109.232 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -63.93 122.0 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.627 -0.715 . . . . 1.1 111.355 -171.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.02 -45.87 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.727 -1.124 . . . . 3.06 111.606 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -140.64 53.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.42 . . . . 1.8 110.476 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 78.5 t 72.1 -52.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.393 -0.821 . . . . 1.7 111.631 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 49.8 m0 68.66 115.21 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.67 0.606 . . . . 0.5 111.879 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -80.28 41.14 0.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.763 -0.653 . . . . 2.06 111.359 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.6 t80 70.73 -48.59 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.86 0.864 . . . . 0.47 111.29 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.586 ' O ' ' HG3' ' A' ' 796' ' ' MET . 50.3 m-20 -61.45 -43.93 98.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.725 -0.216 . . . . 1.86 110.489 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.43 -46.49 89.83 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.317 0.58 . . . . 1.36 110.697 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.2 tp -59.02 -48.08 82.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.855 -1.066 . . . . 0.22 110.669 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 798' ' ' ILE . 21.7 mm -66.56 -36.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 111.813 0.301 . . . . 0.51 111.813 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 91.7 mtp -57.78 -45.51 85.9 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.944 -0.391 . . . . 2.69 109.944 176.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.29 94.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.749 -0.659 . . . . 0.27 110.337 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 802' ' ' ILE . 20.4 mm -53.93 -53.93 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.458 -0.792 . . . . 0.67 111.225 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.95 -44.92 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 1.21 111.446 -176.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.5 t -64.31 -52.75 56.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.278 -0.419 . . . . 1.29 111.135 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.97 -48.73 62.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.43 0.53 . . . . 1.95 112.43 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.702 HD13 HD21 ' A' ' 853' ' ' LEU . 75.6 mt . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.69 0.281 . . . . 1.56 111.039 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 813' ' ' ILE . 2.6 Cg_endo . . . . . 0 N--CA 1.458 -0.575 0 N-CA-C 111.273 -0.318 . . . . 0.88 111.273 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.807 HG23 ' HG2' ' A' ' 815' ' ' LYS . 3.0 tp 66.57 -1.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.301 1.04 . . . . 1.67 112.34 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 43.8 p 64.3 -15.18 0.08 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.859 1.264 . . . . 1.9 113.019 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.807 ' HG2' HG23 ' A' ' 813' ' ' ILE . 1.4 mmpt? -84.51 45.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.69 -0.485 . . . . 2.52 109.69 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 828' ' ' LEU . 38.6 pt -76.86 148.6 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.671 0.748 . . . . 1.06 110.897 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 31.9 ttmt -127.35 141.77 51.61 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.859 -1.163 . . . . 1.35 107.859 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.701 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.9 p90 -127.99 146.24 50.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.185 0.516 . . . . 0.3 109.949 -172.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.75 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -128.03 145.85 50.86 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.943 -1.026 . . . . 1.08 110.66 -172.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.588 ' HB2' ' HE3' ' A' ' 840' ' ' MET . 19.7 t0 -125.75 140.71 52.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.874 -0.603 . . . . 1.73 109.672 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 821' ' ' GLU . 23.9 tt0 61.06 12.39 3.96 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.235 -0.893 . . . . 3.38 111.228 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.404 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.0 t70 56.75 52.54 9.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 5.63 109.989 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -165.1 -17.5 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.156 -1.021 . . . . 1.39 114.617 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 22.3 t70 -127.54 145.97 50.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.559 0.679 . . . . 1.47 109.981 -178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.69 133.07 52.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.493 0.664 . . . . 1.16 111.426 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.682 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 32.4 t -138.56 148.81 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.831 -1.077 . . . . 1.35 108.838 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.806 HG22 ' HG3' ' A' ' 817' ' ' LYS . 45.7 t -122.68 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 108.83 -0.804 . . . . 1.22 108.83 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.701 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -130.77 148.13 52.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.565 -0.743 . . . . 1.03 111.36 -172.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -139.44 -42.02 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.487 -1.445 . . . . 1.2 109.487 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 44.5 t -82.56 141.04 32.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.787 -0.82 . . . . 1.93 108.787 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -63.77 -9.99 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.212 0.449 . . . . 1.79 112.212 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -62.23 -47.37 84.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 2.93 111.172 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.17 -36.81 83.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.204 0.526 . . . . 2.14 109.828 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 36.0 t-105 -64.77 -40.15 94.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.26 110.429 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 21.6 t30 -58.37 -43.91 88.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.628 -0.508 . . . . 2.0 109.628 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.48 -44.88 85.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.211 -0.904 . . . . 1.36 110.69 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.55 -43.11 99.46 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.354 -0.384 . . . . 0.19 111.625 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -58.52 -49.06 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.799 0.333 . . . . 1.22 110.237 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 45.4 mt-10 -61.44 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.865 -0.607 . . . . 2.22 110.171 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.588 ' HE3' ' HB2' ' A' ' 820' ' ' ASP . 50.8 ttp -57.24 -53.48 57.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.504 -0.771 . . . . 0.76 111.273 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.992 ' HG ' ' HA ' ' A' ' 847' ' ' LYS . 3.5 mp -59.34 -50.52 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.204 -0.453 . . . . 0.62 111.552 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.05 -50.33 64.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.61 111.931 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.73 -50.83 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 2.92 111.173 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 69.4 m-80 -67.95 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.142 -0.481 . . . . 1.53 111.454 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.59 -3.83 0.15 Allowed 'General case' 0 N--CA 1.483 1.207 0 O-C-N 124.666 1.229 . . . . 1.9 111.223 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 848' ' ' PHE . 3.0 mm-40 -60.55 -57.22 13.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.872 -0.331 . . . . 2.97 110.674 -175.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.992 ' HA ' ' HG ' ' A' ' 841' ' ' LEU . 37.9 ttpt 67.93 -24.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.182 0.808 . . . . 2.4 113.182 172.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 846' ' ' GLU . 5.4 t80 -62.71 124.78 21.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.312 -0.625 . . . . 0.54 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 0.4 OUTLIER -127.8 138.32 52.69 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.619 0.724 . . . . 0.56 109.624 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.75 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 61.8 m-80 -128.06 145.64 50.93 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.02 -1.104 . . . . 0.96 108.02 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.694 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.59 124.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 109.292 -0.633 . . . . 0.35 109.292 -170.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.855 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 60.0 ttt180 -110.23 123.46 49.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.927 -0.579 . . . . 2.38 111.222 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 802' ' ' ILE . 2.2 mm? -101.05 122.99 44.53 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.407 -1.331 . . . . 1.56 107.407 169.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.447 -0.787 . . . . 1.77 110.486 -172.81 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.071 -0.344 . . . . 3.25 110.071 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -74.3 137.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.529 0.68 . . . . 0.75 110.068 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.572 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -127.64 144.32 51.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.243 -1.021 . . . . 0.52 108.243 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.4 t -126.85 131.98 51.08 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.253 -0.647 . . . . 1.39 109.253 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 784' ' ' LEU . 15.2 tp -150.1 146.42 26.91 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.607 -1.178 . . . . 0.83 109.397 -166.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 783' ' ' LEU . 9.1 mp -126.49 119.58 27.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.418 -0.586 . . . . 1.53 109.418 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.569 HG11 ' HH2' ' A' ' 834' ' ' TRP . 27.5 m -70.37 61.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.615 -1.175 . . . . 1.1 113.545 -168.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 68.4 mm-40 -60.27 146.28 44.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.309 -0.859 . . . . 3.06 110.871 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 786' ' ' GLU . 34.2 pttt 62.05 2.4 0.79 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.166 0.986 . . . . 1.8 112.846 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 60.2 t 60.55 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.612 0.72 . . . . 1.7 111.423 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 15.8 m0 -70.38 135.1 48.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.259 -0.882 . . . . 0.5 111.344 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 40.5 t30 -68.44 -43.07 77.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.355 -0.538 . . . . 2.06 110.523 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 170.05 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.479 -1.237 . . . . 0.47 110.056 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -62.06 -36.29 81.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.764 -0.458 . . . . 1.86 109.764 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.5 OUTLIER -61.11 -42.22 98.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.303 0.573 . . . . 1.36 110.19 176.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.501 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 0.9 OUTLIER -65.89 -44.28 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 0.22 110.04 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.74 -42.72 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.51 110.767 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 0.3 OUTLIER -61.04 -42.93 99.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.531 -0.304 . . . . 2.69 111.431 177.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.88 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.27 110.241 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.8 -50.74 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.513 -0.767 . . . . 0.67 110.755 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.59 -42.54 92.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.686 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.2 p -68.36 -49.51 59.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.412 -0.358 . . . . 1.29 111.053 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -69.49 -53.78 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.087 0.402 . . . . 1.95 112.087 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.56 110.267 178.663 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.416 ' O ' ' HB ' ' A' ' 813' ' ' ILE . 3.8 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 N-CA-C 111.413 -0.264 . . . . 0.88 111.413 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 814' ' ' THR . 46.9 mm 71.47 -82.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 1.67 109.364 -172.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 813' ' ' ILE . 0.7 OUTLIER 160.0 -47.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.431 1.492 . . . . 1.9 109.049 171.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 0.8 OUTLIER -78.88 60.17 2.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.59 -0.732 . . . . 2.52 110.492 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.509 HD11 HD11 ' A' ' 828' ' ' LEU . 26.1 pt -65.17 144.52 14.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.517 0.675 . . . . 1.06 110.711 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.888 ' HE3' ' HB3' ' A' ' 825' ' ' PHE . 40.3 tttp -126.45 137.74 53.44 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 107.222 -1.399 . . . . 1.35 107.222 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.777 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.1 p90 -126.55 145.65 50.44 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.298 0.57 . . . . 0.3 110.301 -171.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.032 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 38.0 tt0 -128.84 142.61 50.91 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 113.893 -1.503 . . . . 1.08 109.426 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -126.55 137.94 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.022 0.439 . . . . 1.73 111.449 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.533 ' HB2' ' HG2' ' A' ' 846' ' ' GLU . 16.3 tp10 45.47 37.42 3.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.837 -1.529 . . . . 3.38 111.447 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.926 ' HA ' HE21 ' A' ' 819' ' ' GLN . 33.2 t0 50.54 52.26 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.173 -0.921 . . . . 5.63 111.61 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -154.95 -38.06 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 119.324 -1.417 . . . . 1.39 115.068 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 27.5 t70 -127.88 148.54 50.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.788 0.794 . . . . 1.47 111.69 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.888 ' HB3' ' HE3' ' A' ' 817' ' ' LYS . 13.7 m-85 -124.09 136.5 54.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.57 0.7 . . . . 1.16 111.218 -172.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 42.6 t -145.6 149.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.368 -1.287 . . . . 1.35 108.93 -175.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.574 HG22 ' HG3' ' A' ' 817' ' ' LYS . 79.6 t -122.76 128.86 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.957 -0.757 . . . . 1.22 108.957 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.777 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.4 pp -128.63 150.51 50.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.706 -0.679 . . . . 1.03 111.033 -171.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -160.21 35.12 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.521 -1.432 . . . . 1.2 109.521 174.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.1 m -160.33 141.64 12.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.87 -1.165 . . . . 1.93 107.918 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -51.27 -40.3 58.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.989 -0.55 . . . . 1.79 112.348 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.64 -45.1 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.472 0.545 . . . . 2.93 112.472 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 828' ' ' LEU . 12.7 t0 -63.64 -37.81 88.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.185 0.517 . . . . 2.14 110.355 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.569 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.5 t-105 -67.54 -43.26 81.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.96 -0.563 . . . . 0.26 109.807 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.86 -46.93 84.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 2.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.06 -36.24 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 121.164 -0.214 . . . . 1.36 110.694 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.27 -46.38 88.68 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.414 -0.217 . . . . 0.19 110.414 176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 23.2 mtmm -58.76 -46.88 86.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 121.032 -0.267 . . . . 1.22 110.506 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.59 -43.83 84.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.094 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -55.41 -52.4 63.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.76 110.731 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.23 -57.79 10.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 0.62 111.465 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.38 80.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.758 0.651 . . . . 0.61 112.758 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.25 -46.72 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.647 -0.251 . . . . 2.92 111.558 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.3 m-80 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.569 -0.452 . . . . 1.53 111.677 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.561 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 14.3 p30 156.4 -27.69 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.758 -0.83 . . . . 1.9 108.758 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 7.8 mt-10 -63.68 157.78 23.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.752 -1.567 . . . . 2.97 113.0 -171.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -147.9 -28.81 0.33 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.559 -0.746 . . . . 2.4 110.065 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.524 ' HE2' HD21 ' A' ' 850' ' ' ASN . 9.1 t80 -55.89 124.04 16.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.131 -0.486 . . . . 0.54 110.017 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 819' ' ' GLN . 33.4 tp -129.23 139.69 51.75 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.282 -0.636 . . . . 0.56 109.282 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.032 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 76.4 m-20 -128.77 146.7 50.83 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.521 -0.918 . . . . 0.96 108.521 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.572 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.7 OUTLIER -126.1 124.22 65.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 108.97 -0.752 . . . . 0.35 108.97 -175.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 69.4 ttt180 -103.35 115.48 30.62 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.835 -0.62 . . . . 2.38 109.716 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.0 mm? -95.62 61.68 2.29 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.938 -0.764 . . . . 1.56 108.938 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.276 -0.869 . . . . 1.77 111.137 -172.557 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 109.248 -0.649 . . . . 3.25 109.248 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 850' ' ' ASN . 2.4 mm -81.04 138.42 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.681 0.753 . . . . 0.75 110.47 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.7 t80 -126.87 145.45 50.65 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.415 -1.698 . . . . 0.52 106.415 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 24.4 m -125.87 131.15 52.43 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.794 -0.762 . . . . 1.39 110.446 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.414 HD22 HG12 ' A' ' 798' ' ' ILE . 44.2 tp -150.42 146.87 26.94 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.486 -1.234 . . . . 0.83 109.502 -171.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.39 120.26 29.37 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.171 -0.677 . . . . 1.53 109.171 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.625 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.0 t -65.75 101.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.616 -1.175 . . . . 1.1 111.157 -170.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.1 -46.75 64.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.841 -1.072 . . . . 3.06 112.507 -170.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 20.8 pttp -141.51 49.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.592 -0.443 . . . . 1.8 111.592 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 838' ' ' LYS . 53.8 t 70.04 -55.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.996 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.625 ' CE3' HG13 ' A' ' 785' ' ' VAL . 43.9 m0 71.09 137.0 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.568 0.699 . . . . 0.5 112.128 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.16 36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.941 -0.572 . . . . 2.06 109.847 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.603 ' HD1' HD23 ' A' ' 794' ' ' LEU . 17.5 t80 71.18 -47.09 0.65 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.751 0.82 . . . . 0.47 111.095 -176.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 796' ' ' MET . 44.3 m-20 -60.12 -41.09 91.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 1.86 110.337 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 789' ' ' TRP . 2.5 m-20 -63.75 -43.4 96.54 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.487 0.661 . . . . 1.36 109.848 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.603 HD23 ' HD1' ' A' ' 791' ' ' PHE . 7.3 tp -61.11 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.22 110.165 178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.608 HG23 ' HD3' ' A' ' 812' ' ' PRO . 23.3 mm -57.25 -48.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.51 111.01 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 23.0 mmt -64.03 -43.18 96.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 2.69 111.213 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.19 82.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.578 -0.283 . . . . 0.27 110.393 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.595 ' O ' HG13 ' A' ' 802' ' ' ILE . 76.5 mt -59.93 -51.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.67 110.469 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 799' ' ' ASN . 0.1 OUTLIER -56.0 -51.33 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.058 -0.519 . . . . 1.21 112.101 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.9 t -63.48 -44.71 93.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.457 . . . . 1.29 110.396 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -68.16 -37.03 80.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.61 . . . . 1.95 111.715 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 798' ' ' ILE . 31.7 mt . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 120.586 0.232 . . . . 1.56 110.406 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 795' ' ' ILE . 9.7 Cg_exo . . . . . 0 CA--C 1.52 -0.217 0 N-CA-C 112.49 0.15 . . . . 0.88 112.49 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 816' ' ' ILE . 50.3 mm 68.59 108.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 O-C-N 123.974 0.796 . . . . 1.67 109.574 -175.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -17.49 63.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.244 -0.434 . . . . 1.9 111.553 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 46.86 1.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.024 -0.535 . . . . 2.52 110.187 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 813' ' ' ILE . 1.4 pt -87.36 153.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.452 0.644 . . . . 1.06 110.311 177.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 57.1 mttt -127.53 147.0 50.33 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.898 -1.046 . . . . 1.35 108.807 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 2.8 p90 -125.29 143.52 50.92 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.604 0.716 . . . . 0.3 109.486 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.004 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 41.5 tt0 -128.54 147.31 50.69 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 113.547 -1.661 . . . . 1.08 109.081 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -124.46 145.77 49.32 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.843 -0.799 . . . . 1.73 108.843 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 44.2 tt0 -42.09 -34.71 0.77 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.103 0.877 . . . . 3.38 112.505 -172.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.72 -35.42 63.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.24 0.543 . . . . 5.63 110.997 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 111.46 54.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.625 -0.99 . . . . 1.39 110.625 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 29.2 t70 -128.11 145.71 50.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.278 . . . . 1.47 110.478 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.462 ' HE1' ' HB2' ' A' ' 852' ' ' ARG . 2.7 m-85 -126.4 129.96 49.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.248 0.547 . . . . 1.16 110.504 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.633 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 52.6 t -145.27 148.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 114.928 -1.033 . . . . 1.35 108.613 -177.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.484 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 8.2 p -123.22 127.87 74.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.678 -0.86 . . . . 1.22 108.678 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.8 pp -128.6 164.12 23.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.008 -0.996 . . . . 1.03 112.277 -166.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 175.39 39.53 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.217 -0.901 . . . . 1.2 112.325 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 33.9 t -143.71 -84.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.966 -0.294 . . . . 1.93 110.947 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 26.5 t0 179.9 -49.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.733 -0.469 . . . . 1.79 109.733 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.19 -37.47 77.47 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.685 -0.689 . . . . 2.93 111.338 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 836' ' ' VAL . 1.3 p30 -61.21 -46.16 91.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.441 -0.799 . . . . 2.14 110.686 176.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.614 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.1 t-105 -65.54 -41.07 93.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.623 . . . . 0.26 110.244 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.467 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 26.5 t-20 -56.39 -48.06 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 2.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 833' ' ' ASP . 32.8 m -65.08 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.677 -0.409 . . . . 1.36 111.002 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -46.18 90.69 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.768 -0.373 . . . . 0.19 110.48 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.671 ' HD2' HG13 ' A' ' 788' ' ' VAL . 51.4 mtmt -59.57 -45.96 90.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 1.22 111.069 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -57.83 -47.32 83.0 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.898 -0.408 . . . . 2.22 109.898 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 39.3 ttp -51.15 -57.27 9.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.76 111.188 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.01 -57.38 13.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.62 111.839 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.63 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.711 0.634 . . . . 0.61 112.711 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.96 -48.87 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.074 -0.25 . . . . 2.92 110.721 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.696 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.9 m120 -69.1 -58.24 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.461 -0.496 . . . . 1.53 111.03 -177.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.696 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 2.9 p30 153.12 -29.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.907 0.883 . . . . 1.9 109.989 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -66.5 163.63 18.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.469 0.652 . . . . 2.97 112.416 -170.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.571 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 75.8 tttt -146.59 -11.88 0.46 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.275 -0.875 . . . . 2.4 110.55 -175.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 6.5 t80 -67.31 123.89 21.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.052 -0.351 . . . . 0.54 110.052 178.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 819' ' ' GLN . 20.4 tp -129.61 139.95 51.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.565 -0.743 . . . . 0.56 109.57 178.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.004 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.5 m-80 -128.36 146.36 50.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.384 -0.969 . . . . 0.96 108.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.616 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -126.59 124.12 64.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 109.41 -0.589 . . . . 0.35 109.41 -174.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -99.17 119.49 37.95 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 120.75 -0.38 . . . . 2.38 110.915 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.6 mm? -93.21 140.67 29.28 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.082 -1.451 . . . . 1.56 107.082 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.542 ' HD2' ' HD3' ' A' ' 852' ' ' ARG . 23.4 p90 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.996 -0.526 . . . . 1.77 110.648 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 122.383 1.087 . . . . 3.25 110.604 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.453 HD13 ' H ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER 171.73 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 CA-C-N 112.863 -1.971 . . . . 0.75 108.779 -177.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.573 ' HD2' HG13 ' A' ' 851' ' ' ILE . 13.1 t80 -149.28 145.62 27.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.092 -1.447 . . . . 0.52 107.092 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 86.2 m -126.39 127.19 45.08 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.215 0.531 . . . . 1.39 109.97 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.93 146.56 27.13 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.033 -1.44 . . . . 0.83 109.683 -166.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.4 mp -126.76 121.38 31.81 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.676 -0.861 . . . . 1.53 108.676 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.829 HG23 ' CE3' ' A' ' 789' ' ' TRP . 4.5 p -67.14 112.27 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.735 -0.666 . . . . 1.1 110.44 -172.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.41 -49.33 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.878 -1.056 . . . . 3.06 112.392 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 788' ' ' VAL . 0.0 OUTLIER -126.71 45.13 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.93 -0.308 . . . . 1.8 110.934 -177.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER 71.39 -41.73 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 123.886 0.874 . . . . 1.7 112.556 177.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.829 ' CE3' HG23 ' A' ' 785' ' ' VAL . 53.5 m0 61.02 115.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.311 0.856 . . . . 0.5 113.311 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -84.25 44.94 1.06 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.511 -0.768 . . . . 2.06 110.483 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.484 ' HB2' ' HD1' ' A' ' 834' ' ' TRP . 46.8 t80 68.77 -54.22 0.55 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.164 0.986 . . . . 0.47 112.365 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.28 -37.53 75.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.453 0.644 . . . . 1.86 109.702 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -64.48 -46.44 82.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.744 -1.117 . . . . 1.36 110.205 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 798' ' ' ILE . 3.4 tp -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.976 -1.011 . . . . 0.22 110.331 177.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.58 -53.52 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.51 111.758 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -62.43 -36.26 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.135 -0.226 . . . . 2.69 110.651 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.31 90.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.377 -0.374 . . . . 0.27 110.274 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 794' ' ' LEU . 69.9 mt -59.98 -49.11 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.743 -0.662 . . . . 0.67 110.748 175.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -57.61 -48.28 79.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 1.21 111.45 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 33.6 m -68.2 -43.87 77.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.24 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 44.8 tttm -68.26 -47.37 67.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.95 111.541 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.237 0.402 0 CA-C-O 121.595 0.712 . . . . 1.56 110.312 177.548 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' A' ' 814' ' ' THR . 4.0 Cg_exo . . . . . 0 N--CA 1.459 -0.504 0 CA-C-O 120.721 0.217 . . . . 0.88 111.971 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 815' ' ' LYS . 17.1 mm 73.07 -18.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.515 0.726 . . . . 1.67 111.611 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 13.3 p 71.8 -17.99 0.32 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.654 1.181 . . . . 1.9 110.75 -173.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.781 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -84.84 44.13 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 2.52 111.038 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 23.7 pt -80.66 142.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.252 1.025 . . . . 1.06 111.657 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.723 ' HG3' HG22 ' A' ' 827' ' ' VAL . 39.3 ttmt -126.62 143.37 51.24 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.702 -1.59 . . . . 1.35 106.767 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 4.6 p90 -126.28 145.3 50.47 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.714 0.769 . . . . 0.3 110.166 -172.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.954 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.31 147.71 50.63 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.76 -1.564 . . . . 1.08 108.663 -173.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -123.95 145.33 49.23 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.427 -0.583 . . . . 1.73 109.427 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.802 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.0 tp10 -44.84 -35.74 2.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.65 -1.159 . . . . 3.38 111.783 -172.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -53.21 -48.59 68.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.729 -0.669 . . . . 5.63 110.262 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 131.85 54.21 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.893 -0.67 . . . . 1.39 111.986 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.606 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 32.9 t70 -141.94 148.11 38.12 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.712 -0.395 . . . . 1.47 111.7 -171.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 9.3 m-85 -124.04 127.7 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.729 0.776 . . . . 1.16 110.268 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.648 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 38.4 t -138.27 149.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 114.153 -1.385 . . . . 1.35 108.748 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.723 HG22 ' HG3' ' A' ' 817' ' ' LYS . 46.2 t -122.51 134.08 66.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.653 -0.869 . . . . 1.22 108.653 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.9 pp -128.29 150.36 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.357 0.598 . . . . 1.03 112.071 -169.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 170.63 40.08 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.829 -1.078 . . . . 1.2 111.209 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 12.1 t -167.96 37.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.415 0.15 . . . . 1.93 110.793 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 65.87 -61.04 0.28 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.549 0.944 . . . . 1.79 113.549 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 836' ' ' VAL . 6.2 mp0 -57.11 -43.46 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.523 0.564 . . . . 2.93 112.523 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.3 OUTLIER -57.9 -49.63 76.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.126 0.489 . . . . 2.14 110.592 -176.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.535 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 9.5 t-105 -63.94 -39.76 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.26 110.413 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.35 -45.25 76.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.623 -0.262 . . . . 2.0 110.763 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 832' ' ' GLU . 92.4 t -58.92 -46.26 91.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.094 -0.503 . . . . 1.36 110.965 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.13 -48.2 82.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.453 -0.34 . . . . 0.19 110.99 177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 15.6 mtpp -56.69 -49.62 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.636 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.26 -41.16 88.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.075 0.464 . . . . 2.22 110.28 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.92 -54.8 42.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.653 -0.703 . . . . 0.76 110.807 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 17.8 mt -58.88 -58.43 8.66 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.62 111.486 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.76 73.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.273 -0.876 . . . . 0.61 112.53 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.27 -48.8 64.07 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.951 0.352 . . . . 2.92 111.951 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.538 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 4.6 m120 -68.68 -58.49 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.53 111.664 -174.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 17.1 p30 148.85 -25.95 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.532 1.133 . . . . 1.9 108.321 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.56 147.78 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.03 -1.441 . . . . 2.97 111.494 -174.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -144.4 -24.2 0.53 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.217 -0.447 . . . . 2.4 110.961 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.802 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.5 t80 -62.27 124.14 20.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.825 0.345 . . . . 0.54 110.238 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 819' ' ' GLN . 15.8 tp -132.37 140.62 48.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.56 109.614 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.954 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -128.56 145.33 51.16 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.487 -0.931 . . . . 0.96 108.487 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.1 mm -127.39 124.29 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 0.35 110.104 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 46.1 ttt85 -106.25 125.99 51.67 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 116.382 -0.372 . . . . 2.38 110.245 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.06 -9.04 16.31 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.791 -0.364 . . . . 1.56 110.223 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.437 -1.256 . . . . 1.77 112.914 173.384 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.372 -0.603 . . . . 3.25 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -86.28 136.68 22.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 109.233 -0.654 . . . . 0.75 109.233 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HE2' ' HA ' ' A' ' 798' ' ' ILE . 18.5 t80 -127.25 144.66 51.0 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.485 -0.932 . . . . 0.52 108.485 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 850' ' ' ASN . 56.5 p -127.16 130.1 49.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.133 0.492 . . . . 1.39 109.878 -171.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.2 tp -149.61 145.66 26.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.339 -0.846 . . . . 0.83 109.445 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.82 122.13 31.9 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.809 -0.812 . . . . 1.53 108.809 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.461 ' HA ' ' CH2' ' A' ' 789' ' ' TRP . 2.8 m -68.29 123.82 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 1.1 110.183 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.49 -37.22 85.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 3.06 111.51 -172.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.87 ' HD2' ' H ' ' A' ' 788' ' ' VAL . 0.0 OUTLIER -152.31 -55.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 1.8 111.589 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.87 ' H ' ' HD2' ' A' ' 787' ' ' LYS . 48.9 t -149.06 -66.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.83 -0.168 . . . . 1.7 110.77 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 788' ' ' VAL . 51.5 m0 74.52 127.97 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.749 0.656 . . . . 0.5 110.886 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 39.3 t30 -70.27 -45.81 65.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.637 0.732 . . . . 2.06 110.126 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 160.74 -43.56 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.066 -1.879 . . . . 0.47 108.245 177.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.44 -41.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.369 -0.832 . . . . 1.86 109.496 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.65 -46.53 84.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.997 -1.001 . . . . 1.36 109.983 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 798' ' ' ILE . 5.6 tp -64.25 -46.56 83.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.414 -1.266 . . . . 0.22 111.128 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.77 -44.05 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.601 -0.272 . . . . 0.51 111.292 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.6 mmt -63.66 -41.97 98.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.475 -0.329 . . . . 2.69 111.329 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.3 93.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.962 0.41 . . . . 0.27 110.121 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.499 ' HA ' ' HE2' ' A' ' 781' ' ' PHE . 68.8 mt -57.35 -52.79 52.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.401 -0.818 . . . . 0.67 110.62 175.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.471 HD22 ' HA ' ' A' ' 799' ' ' ASN . 2.2 m120 -61.64 -37.09 82.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 1.21 111.854 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 36.4 t -58.67 -52.03 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.869 0.366 . . . . 1.29 110.582 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 68.3 mttm -68.99 -39.0 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.459 -0.337 . . . . 1.95 111.851 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 798' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 121.025 -0.27 . . . . 1.56 110.891 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.2 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 CA-C-O 120.688 0.203 . . . . 0.88 111.705 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 815' ' ' LYS . 27.0 mm 68.87 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.438 0.695 . . . . 1.67 111.252 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 812' ' ' PRO . 82.5 p 67.11 -33.29 0.21 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.503 1.521 . . . . 1.9 112.534 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER -79.37 54.22 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.843 0.354 . . . . 2.52 110.711 175.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.628 HD11 HD11 ' A' ' 828' ' ' LEU . 42.3 pt -76.55 143.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.06 111.393 -177.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 27.0 ttpt -127.23 141.27 51.77 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.773 -1.195 . . . . 1.35 107.773 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.671 ' HD2' HD11 ' A' ' 849' ' ' LEU . 20.5 p90 -127.69 146.61 50.51 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.669 0.747 . . . . 0.3 111.466 -167.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.999 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.5 tt0 -127.58 145.63 50.8 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.625 -1.171 . . . . 1.08 109.867 -176.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.3 p30 -126.04 140.47 52.57 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.09 -0.505 . . . . 1.73 109.683 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 43.2 mt-10 59.5 24.15 12.83 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.451 -0.795 . . . . 3.38 110.736 -175.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.493 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 2.8 p30 41.9 41.86 2.04 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.327 -0.851 . . . . 5.63 112.452 -176.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -137.53 -30.52 0.25 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.102 -1.047 . . . . 1.39 114.297 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -127.68 146.64 50.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.555 0.677 . . . . 1.47 110.792 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.54 131.88 53.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.465 0.65 . . . . 1.16 110.846 -172.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.15 148.56 15.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.139 -1.391 . . . . 1.35 108.775 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.626 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.5 p -122.77 142.76 38.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.263 -0.898 . . . . 1.22 110.75 -168.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.763 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 3.7 pp -128.07 149.21 50.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.314 -0.857 . . . . 1.03 111.497 -168.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.91 35.15 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.718 -0.753 . . . . 1.2 112.533 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.3 p -157.97 36.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.563 0.221 . . . . 1.93 111.369 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 67.37 -59.88 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.487 0.921 . . . . 1.79 113.487 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.02 -29.51 68.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.637 0.256 . . . . 2.93 111.596 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.763 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 6.0 m-20 -57.66 -43.07 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 2.14 110.065 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 17.8 t-105 -68.16 -40.3 82.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.26 110.585 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 838' ' ' LYS . 92.0 m-20 -57.98 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 2.0 110.886 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.1 -36.73 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.283 -0.417 . . . . 1.36 111.142 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.27 -49.01 79.32 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.005 -0.278 . . . . 0.19 111.376 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 31.5 mtmm -58.69 -51.46 69.83 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.8 0.333 . . . . 1.22 110.712 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.56 87.6 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.703 -0.68 . . . . 2.22 110.57 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 41.0 ttp -54.37 -50.35 67.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.76 111.087 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 34.9 mt -59.39 -57.62 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.971 0.415 . . . . 0.62 111.087 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.07 81.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.763 -0.653 . . . . 0.61 112.411 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.83 -47.53 74.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.524 -0.307 . . . . 2.92 111.245 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.4 m120 -68.53 -58.3 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 119.5 -0.286 . . . . 1.53 111.393 -176.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 15.8 p30 161.76 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.757 0.661 . . . . 1.9 111.086 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.696 ' HG3' ' H ' ' A' ' 847' ' ' LYS . 5.9 tp10 -82.59 -158.65 0.27 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.286 0.565 . . . . 2.97 111.662 -169.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.696 ' H ' ' HG3' ' A' ' 846' ' ' GLU . 0.1 OUTLIER -176.06 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.406 -0.816 . . . . 2.4 108.816 -178.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -55.48 131.9 47.16 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.343 -0.844 . . . . 0.54 111.143 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.671 HD11 ' HD2' ' A' ' 818' ' ' TYR . 14.6 tp -128.49 145.23 51.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.422 -0.808 . . . . 0.56 110.084 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.999 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.5 m-80 -128.37 145.54 51.04 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.281 -1.007 . . . . 0.96 108.281 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -127.61 130.32 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 C-N-CA 120.749 -0.38 . . . . 0.35 110.121 -174.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -107.95 129.68 55.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.149 -0.478 . . . . 2.38 109.893 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 853' ' ' LEU . 2.2 mm? -96.05 133.43 40.3 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.386 -0.968 . . . . 1.56 108.386 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 11.5 p90 . . . . . 0 C--O 1.244 0.781 0 CA-C-O 118.163 -0.923 . . . . 1.77 110.068 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.092 -0.336 . . . . 3.25 110.092 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -97.92 138.49 22.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.365 0.602 . . . . 0.75 110.636 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.556 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.8 t80 -128.32 145.71 50.98 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.069 -1.085 . . . . 0.52 108.069 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.573 HG22 ' OD1' ' A' ' 850' ' ' ASN . 12.8 p -126.56 126.39 43.58 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.794 -0.447 . . . . 1.39 109.794 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 19.7 tp -150.1 146.21 26.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.224 -0.898 . . . . 0.83 109.115 -171.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.5 122.5 35.36 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.251 -0.579 . . . . 1.53 109.684 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 841' ' ' LEU . 22.3 m -70.81 69.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 1.1 111.617 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -50.09 -50.44 48.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.077 -0.965 . . . . 3.06 110.689 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -113.17 149.41 33.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.329 -0.989 . . . . 1.8 108.329 171.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.41 88.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.296 0.57 . . . . 1.7 110.756 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.611 ' CE3' HG12 ' A' ' 785' ' ' VAL . 26.5 m0 -65.3 135.93 55.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.149 -0.932 . . . . 0.5 111.944 -174.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.76 42.75 0.8 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 2.06 110.532 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 30.5 t80 67.47 -50.8 0.5 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.219 1.008 . . . . 0.47 112.418 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -60.17 -42.03 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.947 0.403 . . . . 1.86 110.419 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 2.9 m-20 -62.28 -41.96 98.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.644 0.735 . . . . 1.36 110.147 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 798' ' ' ILE . 7.8 tp -63.11 -44.67 95.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.577 -1.192 . . . . 0.22 110.454 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.0 mm -59.34 -45.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.51 111.129 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 85.1 mtp -59.8 -43.91 94.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.393 -0.367 . . . . 2.69 111.024 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.47 97.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.899 0.381 . . . . 0.27 110.758 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.496 ' HA ' ' CE2' ' A' ' 781' ' ' PHE . 81.2 mt -59.15 -52.3 62.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.653 -0.703 . . . . 0.67 110.574 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -58.31 -49.3 77.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.581 -0.736 . . . . 1.21 111.926 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.0 p -62.26 -47.87 82.42 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.196 0.443 . . . . 1.29 112.196 -176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.27 -41.82 80.48 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.05 0.389 . . . . 1.95 112.05 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 111.855 0.317 . . . . 1.56 111.855 -176.159 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo . . . . . 0 N--CA 1.46 -0.447 0 N-CA-C 110.798 -0.501 . . . . 0.88 110.798 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.771 HG22 HG22 ' A' ' 814' ' ' THR . 47.1 mm 72.53 -61.61 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 114.0 -1.455 . . . . 1.67 109.008 -169.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.771 HG22 HG22 ' A' ' 813' ' ' ILE . 4.0 t 159.34 -33.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.383 -1.28 . . . . 1.9 107.584 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.712 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.4 mmpt? -79.81 127.22 31.96 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.202 -1.363 . . . . 2.52 111.053 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.5 150.16 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.867 0.841 . . . . 1.06 111.452 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 1.103 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.1 mttp -127.72 147.07 50.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.215 -1.357 . . . . 1.35 108.465 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 828' ' ' LEU . 6.2 p90 -126.91 144.67 50.93 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.334 0.588 . . . . 0.3 109.979 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.94 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.2 tt0 -128.66 145.85 51.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.313 -0.858 . . . . 1.08 110.035 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.62 139.1 53.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.114 -0.493 . . . . 1.73 110.186 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 62.63 16.92 9.26 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.061 0.851 . . . . 3.38 110.396 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 28.1 t70 50.59 47.51 24.13 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.15 -0.932 . . . . 5.63 110.953 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -150.77 -29.72 0.05 OUTLIER Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.219 -0.991 . . . . 1.39 113.804 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -127.38 146.9 50.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.325 0.562 . . . . 1.47 109.988 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -124.67 130.5 52.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.793 0.806 . . . . 1.16 111.199 -171.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.01 150.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.112 -1.404 . . . . 1.35 108.138 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.989 HG22 ' HG2' ' A' ' 817' ' ' LYS . 21.5 t -122.9 129.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.387 -0.597 . . . . 1.22 109.387 -170.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.767 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.91 151.47 49.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.46 0.648 . . . . 1.03 111.471 -173.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -163.41 -35.96 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.025 0 CA-C-N 114.953 -1.021 . . . . 1.2 111.22 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.5 t -75.48 -77.35 0.13 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.74 -0.23 . . . . 1.93 110.66 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -178.41 -51.12 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.818 0.342 . . . . 1.79 110.608 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.688 ' HA ' HD22 ' A' ' 835' ' ' ASN . 23.7 pt-20 -53.91 -39.73 66.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.722 0.638 . . . . 2.93 112.722 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.4 OUTLIER -59.55 -38.7 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.327 0.584 . . . . 2.14 110.387 -175.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.645 ' HH2' HG11 ' A' ' 785' ' ' VAL . 39.7 t-105 -68.25 -39.06 82.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.517 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.688 HD22 ' HA ' ' A' ' 832' ' ' GLU . 79.4 m-20 -61.29 -47.8 84.33 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.649 -0.251 . . . . 2.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 833' ' ' ASP . 10.5 m -62.4 -36.38 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 1.36 110.232 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.36 -51.99 67.55 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 121.245 -0.182 . . . . 0.19 111.426 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.513 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 32.6 mtmm -57.11 -47.63 80.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.593 -0.276 . . . . 1.22 110.666 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.15 -48.69 78.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.342 0.592 . . . . 2.22 110.2 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.623 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 37.7 ttp -52.83 -52.93 55.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.803 -1.09 . . . . 0.76 111.392 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 785' ' ' VAL . 20.2 mt -58.21 -54.69 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.395 -0.366 . . . . 0.62 111.205 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.81 93.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.151 0.426 . . . . 0.61 112.151 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.36 -47.41 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 2.92 110.833 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 25.6 m-80 -62.66 -35.25 79.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 1.53 111.271 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.537 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 97.38 -7.55 0.06 Allowed 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.787 1.304 . . . . 1.9 109.7 -176.109 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -77.55 162.0 27.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.37 -0.832 . . . . 2.97 110.774 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.46 ' HG3' HG23 ' A' ' 785' ' ' VAL . 36.2 ttpt -151.6 3.47 0.41 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.899 -0.591 . . . . 2.4 110.147 -177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.29 124.82 28.52 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.618 -0.512 . . . . 0.54 109.618 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 19.1 tp -128.58 143.84 51.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.547 0.689 . . . . 0.56 109.941 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.94 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.4 m-80 -128.43 145.34 51.12 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.028 -1.101 . . . . 0.96 108.028 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.43 130.65 70.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.283 -0.636 . . . . 0.35 109.283 -174.316 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 1.103 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 1.9 ttm180 -100.39 136.31 40.47 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 120.453 -0.499 . . . . 2.38 111.361 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 852' ' ' ARG . 2.0 mm? -111.19 136.08 50.79 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.904 -1.044 . . . . 1.56 108.829 167.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.66 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 48.4 p90 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.944 -1.027 . . . . 1.77 109.397 -170.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 853' ' ' LEU . 17.4 pm0 . . . . . 0 C--O 1.235 0.342 0 CA-C-O 121.088 0.47 . . . . 3.25 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.866 HD11 ' HB3' ' A' ' 850' ' ' ASN . 9.0 tp -95.13 140.82 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.192 -0.913 . . . . 0.75 110.403 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.521 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.2 t80 -127.28 145.39 50.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.057 -0.974 . . . . 0.52 108.643 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.8 t -126.75 129.19 47.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.124 0.488 . . . . 1.39 110.153 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 849' ' ' LEU . 21.8 tp -150.52 146.41 26.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.24 -1.346 . . . . 0.83 109.61 -169.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.43 123.7 38.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 1.53 109.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.6 m -68.66 133.98 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.933 -1.031 . . . . 1.1 112.011 -169.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -85.94 -126.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.447 -0.797 . . . . 3.06 111.258 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -71.26 51.91 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.448 -0.796 . . . . 1.8 112.529 -177.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 25.6 t 60.99 80.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.481 0.657 . . . . 1.7 110.862 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.426 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 38.9 m0 -63.01 129.82 42.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.318 -0.855 . . . . 0.5 111.546 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.52 43.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.538 -0.301 . . . . 2.06 110.805 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 35.8 t80 69.83 -53.17 0.62 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.853 0.861 . . . . 0.47 111.766 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.11 -41.18 97.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.302 . . . . 1.86 110.36 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.13 -43.66 95.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.523 0.678 . . . . 1.36 110.004 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.3 tp -64.49 -45.68 86.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.576 -1.193 . . . . 0.22 110.642 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.428 HD13 HD12 ' A' ' 798' ' ' ILE . 26.5 mm -64.52 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.56 -0.291 . . . . 0.51 111.18 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.12 -44.91 94.54 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.741 0.305 . . . . 2.69 110.76 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.09 91.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.27 110.256 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.623 ' O ' HG12 ' A' ' 802' ' ' ILE . 76.7 mt -58.95 -52.88 55.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.414 -0.812 . . . . 0.67 110.748 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.512 HD21 ' HD3' ' A' ' 812' ' ' PRO . 4.7 m120 -52.4 -45.23 65.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.997 -177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 32.9 t -65.48 -50.46 65.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.962 0.41 . . . . 1.29 110.851 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -67.95 -36.36 79.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.247 0.832 . . . . 1.95 113.247 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 798' ' ' ILE . 31.6 mm . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 111.986 0.365 . . . . 1.56 111.986 -174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.512 ' HD3' HD21 ' A' ' 799' ' ' ASN . 3.9 Cg_exo . . . . . 0 N--CA 1.46 -0.471 0 N-CA-C 110.396 -0.656 . . . . 0.88 110.396 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' A' ' 814' ' ' THR . 50.5 mm 70.3 -74.42 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 114.183 -1.371 . . . . 1.67 108.992 -169.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 813' ' ' ILE . 9.1 t 149.69 -24.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.884 1.274 . . . . 1.9 108.209 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.584 ' HB3' ' OH ' ' A' ' 854' ' ' TYR . 0.0 OUTLIER -66.74 -54.48 22.46 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 114.636 -1.165 . . . . 2.52 111.34 -177.024 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.7 pt 47.03 133.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.017 1.858 . . . . 1.06 116.017 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.886 ' HG2' HG22 ' A' ' 827' ' ' VAL . 82.4 mttt -127.61 147.03 50.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.035 -1.893 . . . . 1.35 108.548 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.585 ' HB2' HD11 ' A' ' 849' ' ' LEU . 3.0 p90 -126.2 144.99 50.56 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.351 -0.611 . . . . 0.3 109.351 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.811 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.6 tt0 -128.12 145.45 51.01 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.94 -1.027 . . . . 1.08 109.675 -174.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 11.7 p-10 -125.74 136.87 53.65 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-N 116.023 -0.535 . . . . 1.73 110.084 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 56.96 23.96 8.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.388 -1.278 . . . . 3.38 111.271 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.493 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.3 t0 48.8 58.64 5.09 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.681 -0.69 . . . . 5.63 110.758 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -164.01 -29.4 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.912 -1.137 . . . . 1.39 113.737 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 7.3 t70 -127.41 145.86 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.569 -0.53 . . . . 1.47 109.569 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.8 OUTLIER -125.79 136.82 53.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.943 0.877 . . . . 1.16 111.599 -172.085 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 50.9 t -140.2 150.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 113.925 -1.489 . . . . 1.35 108.26 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.886 HG22 ' HG2' ' A' ' 817' ' ' LYS . 15.8 t -121.98 132.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.28 -1.008 . . . . 1.22 108.28 -171.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.1 pp -128.45 151.33 49.51 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.765 -0.774 . . . . 1.03 112.742 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 172.54 26.6 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.796 -1.093 . . . . 1.2 112.219 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -143.16 19.75 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.893 0.346 . . . . 1.93 110.881 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.8 t70 70.79 -52.67 0.67 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.509 0.724 . . . . 1.79 112.155 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.14 -42.08 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.49 . . . . 2.93 111.177 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -58.15 -48.22 80.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.253 -0.885 . . . . 2.14 111.067 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.543 ' HH2' HG11 ' A' ' 785' ' ' VAL . 20.3 t-105 -65.35 -37.62 87.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.277 -0.42 . . . . 0.26 110.478 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 22.0 t30 -59.76 -50.51 73.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.544 -0.298 . . . . 2.0 110.966 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.6 m -62.79 -36.53 75.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.908 -0.317 . . . . 1.36 110.706 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.634 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.91 -48.31 82.4 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 121.006 -0.278 . . . . 0.19 110.973 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 30.8 mtmm -56.9 -48.49 78.08 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.535 0.207 . . . . 1.22 111.023 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 51.0 mt-10 -59.57 -44.16 93.38 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.152 0.501 . . . . 2.22 110.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.55 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 34.9 ttp -56.94 -56.4 22.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.194 -0.912 . . . . 0.76 111.192 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.2 mt -54.94 -51.9 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.62 110.984 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.42 46.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.556 0.576 . . . . 0.61 112.556 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 2.92 111.29 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.1 m120 -68.21 -35.27 77.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.036 -0.529 . . . . 1.53 110.889 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.37 -14.17 0.14 Allowed 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.348 1.03 . . . . 1.9 109.572 -173.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.51 64.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.334 -0.848 . . . . 2.97 110.98 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 29.8 ttpt -81.84 30.07 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.491 -0.322 . . . . 2.4 111.77 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -91.06 125.42 35.84 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.934 -0.765 . . . . 0.54 108.934 173.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 818' ' ' TYR . 33.0 tp -128.0 138.91 52.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.707 0.765 . . . . 0.56 110.552 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.866 ' HB3' HD11 ' A' ' 780' ' ' ILE . 72.2 m-80 -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.949 -1.023 . . . . 0.96 108.916 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.521 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -127.15 124.84 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.644 -0.502 . . . . 0.35 109.644 -174.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.6 ttm180 -104.23 134.79 46.86 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.719 -0.474 . . . . 2.38 109.719 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.441 ' HB2' ' OE2' ' A' ' 779' ' ' GLU . 5.5 mp -100.56 -26.54 13.8 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.732 -0.387 . . . . 1.56 110.855 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.651 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 6.6 p90 . . . . . 0 C--O 1.252 1.188 0 O-C-N 124.355 1.034 . . . . 1.77 112.815 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 2.3 pm0 . . . . . 0 CA--C 1.518 -0.273 0 CA-C-O 120.798 0.333 . . . . 3.25 110.202 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -92.42 138.07 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.638 0.732 . . . . 0.75 110.659 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.51 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.5 t80 -128.61 146.73 50.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.215 -1.031 . . . . 0.52 108.215 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.541 HG22 ' OD1' ' A' ' 850' ' ' ASN . 80.5 p -125.33 129.25 49.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.009 -0.737 . . . . 1.39 109.009 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 41.9 tp -149.72 146.48 27.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.497 -1.228 . . . . 0.83 109.461 -169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.68 119.46 27.02 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.849 -0.797 . . . . 1.53 108.849 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.726 HG13 ' CE3' ' A' ' 789' ' ' TRP . 20.9 t -62.19 -35.76 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.252 -1.34 . . . . 1.1 111.623 -168.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 847' ' ' LYS . 16.5 tp10 69.39 -59.47 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.229 0.612 . . . . 3.06 111.746 175.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.85 139.59 39.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.787 -0.82 . . . . 1.8 108.787 175.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 1.002 HG23 ' HD2' ' A' ' 838' ' ' LYS . 1.4 p -46.74 108.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.608 -0.724 . . . . 1.7 112.41 -174.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.726 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.1 m0 -82.9 142.81 31.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.268 -0.878 . . . . 0.5 110.302 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 47.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.395 . . . . 2.06 110.292 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 53.9 t80 65.11 -55.04 0.31 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.222 1.009 . . . . 0.47 113.033 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.27 -38.02 85.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.167 0.508 . . . . 1.86 110.185 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 30.5 m-20 -62.58 -42.42 99.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 1.36 109.591 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 834' ' ' TRP . 8.7 tp -62.49 -45.83 91.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.469 -1.241 . . . . 0.22 110.414 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.54 -48.13 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.51 111.062 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 83.0 mtp -59.53 -45.01 93.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 -0.263 . . . . 2.69 111.161 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.2 87.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.27 110.383 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 802' ' ' ILE . 69.2 mt -59.66 -50.73 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.908 -0.587 . . . . 0.67 110.937 176.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.446 HD21 ' HD3' ' A' ' 812' ' ' PRO . 5.2 m120 -52.21 -52.77 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 1.21 111.82 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.1 m -68.76 -50.85 47.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.557 . . . . 1.29 111.869 -177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 1.95 113.154 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.8 mt . . . . . 0 N--CA 1.468 0.467 0 C-N-CA 120.76 -0.376 . . . . 1.56 110.622 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.62 ' HB2' HG22 ' A' ' 816' ' ' ILE . 3.4 Cg_exo . . . . . 0 CA--C 1.511 -0.643 0 N-CA-C 110.749 -0.52 . . . . 0.88 110.749 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 814' ' ' THR . 1.6 mp 72.1 -67.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 113.251 -1.795 . . . . 1.67 107.939 -167.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 813' ' ' ILE . 4.1 t 158.27 -30.57 0.0 OUTLIER 'General case' 0 C--O 1.231 0.088 0 CA-C-N 114.915 -1.039 . . . . 1.9 108.267 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.755 ' HA ' ' HE3' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -66.61 -64.21 0.9 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.429 -1.26 . . . . 2.52 112.23 -173.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.62 HG22 ' HB2' ' A' ' 812' ' ' PRO . 18.6 pt 53.83 131.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.404 1.482 . . . . 1.06 113.973 -174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.733 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 77.1 tttt -127.7 145.38 50.91 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.01 -1.45 . . . . 1.35 108.291 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.703 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 5.7 p90 -126.96 145.9 50.52 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.475 0.655 . . . . 0.3 110.427 -174.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.038 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -127.96 147.34 50.48 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.486 -1.234 . . . . 1.08 108.942 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 819' ' ' GLN . 0.0 OUTLIER -124.61 145.67 49.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.708 -0.479 . . . . 1.73 109.708 -172.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 846' ' ' GLU . 6.4 tp10 -41.93 -36.47 1.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.263 -1.335 . . . . 3.38 112.561 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.417 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 34.7 t70 -56.08 -33.08 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.058 0.456 . . . . 5.63 111.245 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 112.78 58.04 0.43 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.898 -0.668 . . . . 1.39 111.531 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 6.9 t70 -147.18 147.07 30.13 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.203 -0.199 . . . . 1.47 110.768 -172.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.733 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 1.8 m-85 -124.44 128.86 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.484 0.659 . . . . 1.16 110.165 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 82.4 t -142.9 148.85 19.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.362 -1.29 . . . . 1.35 108.612 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.2 p -122.64 131.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.537 -0.912 . . . . 1.22 108.537 -174.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.61 149.58 50.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.394 -0.821 . . . . 1.03 113.176 -163.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.59 -26.13 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.224 -1.353 . . . . 1.2 112.104 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 20.5 m -72.73 -7.66 51.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.448 0.536 . . . . 1.93 112.448 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.1 t0 64.42 49.37 2.49 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.556 1.169 . . . . 1.79 109.589 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.68 -46.02 0.06 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.838 -1.528 . . . . 2.93 107.133 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 828' ' ' LEU . 1.0 OUTLIER -56.77 -46.17 81.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.95 -1.932 . . . . 2.14 110.602 166.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.597 ' HB2' HD23 ' A' ' 828' ' ' LEU . 20.3 t-105 -66.41 -41.19 89.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.151 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.562 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 46.5 t30 -57.32 -49.66 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 2.0 111.322 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.34 -36.43 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.333 . . . . 1.36 110.426 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.703 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.26 -49.86 75.62 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.015 -0.274 . . . . 0.19 111.116 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 1.002 ' HD2' HG23 ' A' ' 788' ' ' VAL . 9.3 mtmp? -56.1 -49.39 73.97 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.821 0.343 . . . . 1.22 110.751 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 6.0 mm-40 -63.03 -39.72 95.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.736 -0.665 . . . . 2.22 110.312 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.558 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 44.8 ttp -56.47 -52.4 64.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.363 -0.835 . . . . 0.76 110.886 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 6.7 mt -58.67 -48.63 80.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 0.62 110.662 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.12 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.61 112.155 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.97 -50.13 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.289 0.566 . . . . 2.92 110.205 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.737 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 54.1 m-80 -67.94 -35.82 79.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.537 -0.756 . . . . 1.53 111.955 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.71 -12.73 0.17 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.574 1.149 . . . . 1.9 109.792 -173.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 14.0 mt-10 -74.96 73.71 2.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 2.97 110.34 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 786' ' ' GLU . 38.9 ttpt -74.29 0.23 14.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.968 -1.015 . . . . 2.4 111.762 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.4 t80 -68.39 125.32 26.07 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.086 -0.339 . . . . 0.54 110.086 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.3 tp -128.65 142.61 50.97 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.69 0.757 . . . . 0.56 109.943 177.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.038 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.8 m-80 -128.52 146.56 50.79 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.088 -1.079 . . . . 0.96 108.088 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.19 124.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 109.119 -0.697 . . . . 0.35 109.119 -174.464 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.427 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.8 ttm180 -110.9 129.48 55.86 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 120.54 -0.464 . . . . 2.38 110.703 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 1.7 mm? -100.98 134.62 43.7 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.391 -1.337 . . . . 1.56 107.391 170.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.721 -0.656 . . . . 1.77 109.815 -174.615 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.976 -0.379 . . . . 3.25 109.976 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' A' ' 850' ' ' ASN . 5.8 tp -106.07 136.54 40.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.75 110.191 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.511 ' HD2' HG13 ' A' ' 851' ' ' ILE . 11.8 t80 -129.05 146.38 51.03 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.671 -0.863 . . . . 0.52 108.671 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.514 HG22 ' OD1' ' A' ' 850' ' ' ASN . 21.5 p -125.92 133.67 51.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.882 0.372 . . . . 1.39 110.022 -174.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 1.06 HD11 ' HZ3' ' A' ' 789' ' ' TRP . 2.7 tm? -150.02 145.9 26.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.697 -1.138 . . . . 0.83 109.769 -167.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.533 ' H ' HD22 ' A' ' 783' ' ' LEU . 7.4 tt -128.23 121.54 29.61 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.499 -0.926 . . . . 1.53 108.499 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 35.1 m -71.12 119.1 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 1.1 110.984 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.48 -48.6 16.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.348 -0.842 . . . . 3.06 111.986 -171.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 52.5 pttt -145.45 55.7 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.399 -0.364 . . . . 1.8 111.238 -173.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 53.4 t 70.98 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.541 -0.754 . . . . 1.7 111.582 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 1.06 ' HZ3' HD11 ' A' ' 783' ' ' LEU . 42.8 m0 69.98 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.337 0.655 . . . . 0.5 112.08 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -78.9 38.87 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.536 -0.756 . . . . 2.06 111.299 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.461 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.1 t80 71.39 -48.72 0.68 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.68 0.792 . . . . 0.47 111.759 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 795' ' ' ILE . 38.3 m-20 -62.11 -40.52 96.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.86 110.34 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.87 -37.84 88.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.14 0.495 . . . . 1.36 110.379 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.477 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 4.4 tp -66.48 -49.45 66.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.467 -0.788 . . . . 0.22 110.704 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 792' ' ' ASP . 9.2 tp -64.9 -36.71 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.626 -0.261 . . . . 0.51 110.98 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 91.6 mmm -64.34 -42.98 95.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.419 -0.355 . . . . 2.69 110.409 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.12 97.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.27 110.542 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 794' ' ' LEU . 83.9 mt -58.8 -53.51 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.67 110.752 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . 0.436 HD21 ' HD3' ' A' ' 812' ' ' PRO . 23.2 m-20 -62.83 -36.44 83.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 1.21 111.372 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -47.41 83.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.955 0.407 . . . . 1.29 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.67 -43.93 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.95 111.664 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.56 110.778 178.564 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.436 ' HD3' HD21 ' A' ' 799' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.797 0 CA-C-O 120.619 0.174 . . . . 0.88 111.967 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 42.6 mm 74.19 -18.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.044 0.537 . . . . 1.67 112.001 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 812' ' ' PRO . 25.4 p 72.8 -37.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.016 1.326 . . . . 1.9 111.196 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.481 ' N ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -78.54 50.08 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.539 -0.3 . . . . 2.52 110.54 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 828' ' ' LEU . 42.8 pt -63.73 148.74 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.414 0.626 . . . . 1.06 111.196 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.859 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 28.8 tttp -126.14 142.65 51.43 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.966 -1.494 . . . . 1.35 106.966 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.676 ' CD2' HD23 ' A' ' 828' ' ' LEU . 7.6 p90 -127.04 146.3 50.41 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.335 0.588 . . . . 0.3 110.657 -170.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.112 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 32.7 tt0 -127.95 148.32 50.51 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.405 -1.271 . . . . 1.08 109.336 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -122.46 145.27 48.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.605 -168.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.615 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 82.7 tt0 -41.34 -45.82 3.13 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.052 1.341 . . . . 3.38 113.671 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -61.96 -37.83 86.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.917 0.389 . . . . 5.63 110.769 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 129.02 59.14 0.1 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.737 . . . . 1.39 112.286 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 26.2 t70 -134.64 146.46 49.56 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.182 -0.207 . . . . 1.47 110.653 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.31 127.93 46.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 1.16 110.062 -176.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.542 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 58.5 t -144.13 148.89 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.811 -1.086 . . . . 1.35 108.909 -173.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.746 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 13.6 p -123.9 135.79 62.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.449 -0.575 . . . . 1.22 109.449 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.676 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.6 pp -128.39 145.25 51.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.231 -0.895 . . . . 1.03 111.77 -167.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -177.67 32.56 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.213 -0.903 . . . . 1.2 111.756 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.9 m -153.19 26.62 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.591 0.234 . . . . 1.93 110.874 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.25 -45.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.864 1.266 . . . . 1.79 113.773 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.49 -36.76 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.348 0.594 . . . . 2.93 111.066 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -66.12 -44.36 84.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.215 -0.902 . . . . 2.14 111.531 179.087 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.546 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 27.4 t-105 -66.21 -38.16 87.3 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.527 -0.469 . . . . 0.26 109.827 174.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 24.5 t-20 -54.61 -51.77 64.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.813 -0.631 . . . . 2.0 110.684 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 833' ' ' ASP . 25.0 m -64.58 -36.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.473 -0.33 . . . . 1.36 111.391 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.692 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.41 -48.37 82.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.234 -0.587 . . . . 0.19 110.594 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.546 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 9.0 mtmp? -55.93 -54.23 47.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.65 0.262 . . . . 1.22 111.648 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 29.3 mm-40 -59.68 -40.58 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 2.22 110.014 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 36.4 ttp -57.58 -50.1 74.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.041 -0.981 . . . . 0.76 110.839 175.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 62.8 mt -61.06 -51.74 67.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.62 111.233 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.83 89.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 0.61 111.848 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.28 -54.86 14.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 2.92 111.24 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.0 m-80 -68.0 -35.8 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 1.53 112.396 -176.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.35 -6.23 0.14 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.305 1.042 . . . . 1.9 109.68 -174.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.615 ' HG3' ' HB3' ' A' ' 821' ' ' GLU . 30.5 tt0 -65.36 122.34 16.92 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.267 -1.012 . . . . 2.97 108.267 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -143.7 6.2 1.41 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.535 -0.866 . . . . 2.4 111.705 -169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 22.0 t80 -77.37 125.21 28.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.38 -0.97 . . . . 0.54 108.38 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.9 tp -128.07 140.66 51.82 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.656 0.741 . . . . 0.56 109.901 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.112 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.4 m-80 -128.77 147.58 50.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.777 -1.101 . . . . 0.96 108.155 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.12 124.35 67.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.929 -0.767 . . . . 0.35 108.929 -176.469 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.859 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 80.0 ttt180 -99.88 134.4 42.83 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.36 -0.836 . . . . 2.38 110.463 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 852' ' ' ARG . 18.3 mt -117.37 138.37 51.84 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.654 -1.239 . . . . 1.56 107.654 167.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.162 -0.923 . . . . 1.77 110.443 -165.158 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 18.7 pt-20 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.787 -0.449 . . . . 3.25 109.787 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.3 tp -86.73 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.232 0.539 . . . . 0.75 110.14 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.468 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -128.01 145.43 50.98 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.824 -0.806 . . . . 0.52 108.824 -176.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.2 m -127.71 128.28 45.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 1.39 110.68 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 783' ' ' LEU . 8.0 tp -150.58 146.9 26.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.053 -0.976 . . . . 0.83 108.738 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.602 ' HG ' ' HA ' ' A' ' 848' ' ' PHE . 7.5 mp -125.8 122.49 36.31 Favored 'General case' 0 C--N 1.315 -0.907 0 O-C-N 121.626 -0.671 . . . . 1.53 109.708 -177.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.684 HG13 ' CE3' ' A' ' 789' ' ' TRP . 1.7 t -70.75 83.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.128 -1.397 . . . . 1.1 111.634 -168.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.67 -59.46 3.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 3.06 111.885 -175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -104.44 32.12 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.425 -0.352 . . . . 1.8 111.916 -171.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.5 t 47.89 70.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.392 0.615 . . . . 1.7 111.513 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.684 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.0 m0 -55.77 139.54 44.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.343 -0.844 . . . . 0.5 112.517 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.41 45.91 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.583 -0.525 . . . . 2.06 109.583 173.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 45.6 t80 70.06 -50.49 0.64 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.169 -0.923 . . . . 0.47 111.891 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.27 -41.3 96.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.97 0.414 . . . . 1.86 110.109 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.9 OUTLIER -65.44 -40.6 93.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.684 -0.689 . . . . 1.36 109.655 177.218 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.6 tp -63.69 -45.81 88.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.817 -1.083 . . . . 0.22 110.33 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.65 -45.25 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.51 110.852 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 3.9 mmt -56.9 -45.36 82.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.379 -0.373 . . . . 2.69 111.384 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.55 92.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.27 110.291 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 794' ' ' LEU . 75.6 mt -59.31 -51.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.987 -0.551 . . . . 0.67 111.099 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -54.54 -53.15 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 1.21 111.621 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 11.5 p -67.32 -41.93 84.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.936 -0.575 . . . . 1.29 111.455 -177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 801' ' ' LYS . 12.6 tppt? -67.92 -44.94 75.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.334 -0.394 . . . . 1.95 111.064 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 C--N 1.332 -0.163 0 CA-C-N 116.492 -0.322 . . . . 1.56 110.666 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.8 Cg_exo . . . . . 0 N--CA 1.464 -0.212 0 N-CA-C 111.483 -0.237 . . . . 0.88 111.483 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 815' ' ' LYS . 32.2 mm 75.75 -26.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.532 -0.758 . . . . 1.67 110.919 -174.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . 0.451 ' H ' ' C ' ' A' ' 812' ' ' PRO . 23.8 p 73.89 -29.68 0.2 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 1.9 110.168 -170.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 813' ' ' ILE . 3.6 mmpp? -82.24 53.79 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.719 -0.673 . . . . 2.52 110.566 173.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 24.5 pt -81.23 145.71 8.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.753 0.787 . . . . 1.06 110.656 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.775 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 73.0 tttt -126.7 144.85 50.8 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.203 -1.406 . . . . 1.35 107.203 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.2 p90 -126.87 145.76 50.54 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.717 0.77 . . . . 0.3 110.41 -171.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.928 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 37.2 tt0 -130.3 145.75 51.81 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.017 -1.447 . . . . 1.08 109.339 -173.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -125.78 136.87 53.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.388 -0.369 . . . . 1.73 110.118 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.6 tp10 54.58 23.91 5.01 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.719 -1.128 . . . . 3.38 111.472 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 30.0 t70 51.73 45.9 27.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.959 -0.564 . . . . 5.63 110.746 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.66 -34.55 0.08 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.062 -1.066 . . . . 1.39 113.9 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 819' ' ' GLN . 26.3 t0 -128.25 147.79 50.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.956 0.378 . . . . 1.47 110.704 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.775 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 16.5 m-85 -124.39 134.92 52.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.926 0.87 . . . . 1.16 111.489 -171.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 46.1 t -142.47 147.47 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.129 -1.396 . . . . 1.35 108.314 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.9 p -124.79 135.24 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 118.651 0.66 . . . . 1.22 110.396 -175.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 834' ' ' TRP . 4.3 pp -129.5 176.55 7.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 1.03 111.499 -172.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.61 -37.52 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.515 -0.766 . . . . 1.2 112.094 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -86.82 -84.68 0.17 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.642 0.238 . . . . 1.93 111.642 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -167.16 -48.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.842 0.353 . . . . 1.79 110.902 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -50.15 -49.13 53.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.609 -0.723 . . . . 2.93 112.887 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 828' ' ' LEU . 1.3 t0 -61.24 -36.74 80.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.381 0.61 . . . . 2.14 110.575 -177.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.612 ' HB2' HD22 ' A' ' 828' ' ' LEU . 23.8 t-105 -68.41 -41.13 80.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.802 -0.635 . . . . 0.26 110.567 174.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 3.1 m120 -55.03 -53.5 55.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.367 -0.379 . . . . 2.0 110.437 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.66 -36.27 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.976 -0.556 . . . . 1.36 111.103 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.24 -52.31 65.83 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.98 -0.288 . . . . 0.19 110.587 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 8.6 mtmp? -56.7 -47.17 80.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.637 -0.256 . . . . 1.22 111.011 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 71.1 mm-40 -58.82 -46.22 88.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.144 -0.48 . . . . 2.22 110.343 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 27.1 ttp -53.0 -53.41 50.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.01 -0.996 . . . . 0.76 111.077 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 31.4 mt -59.62 -57.58 12.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.086 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.55 -50.5 72.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.528 -0.76 . . . . 0.61 112.47 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.61 -50.93 47.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.061 0.393 . . . . 2.92 112.061 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.612 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 78.5 m-20 -68.83 -57.94 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.409 -0.516 . . . . 1.53 111.791 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 10.3 p30 160.38 -29.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.719 0.637 . . . . 1.9 110.257 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.93 164.13 2.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.514 0.674 . . . . 2.97 112.806 -172.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -163.32 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.346 -0.843 . . . . 2.4 110.284 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.904 ' HE2' HD21 ' A' ' 850' ' ' ASN . 17.4 t80 -60.25 124.11 19.28 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.832 -0.803 . . . . 0.54 108.832 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.6 tp -129.18 140.42 51.51 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.56 0.695 . . . . 0.56 109.749 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 2.9 m120 -128.83 145.98 51.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.071 -1.085 . . . . 0.96 108.071 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.18 124.74 66.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.941 -0.763 . . . . 0.35 108.941 -174.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.738 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 47.7 ttt180 -101.08 114.4 28.31 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.238 -0.437 . . . . 2.38 110.588 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.488 ' HB2' ' HG3' ' A' ' 779' ' ' GLU . 2.7 mm? -90.34 69.8 7.03 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.629 -0.878 . . . . 1.56 108.629 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.145 -0.934 . . . . 1.77 111.871 -171.068 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 3.25 109.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.2 tp -76.95 137.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.706 -0.679 . . . . 0.75 110.265 -176.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 851' ' ' ILE . 28.9 t80 -127.73 145.84 50.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.195 -0.911 . . . . 0.52 108.934 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.0 m -127.32 129.73 48.2 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.368 0.604 . . . . 1.39 110.572 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.78 146.5 27.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.725 -1.125 . . . . 0.83 109.142 -173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.1 tt -126.64 117.61 23.1 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.039 -0.665 . . . . 1.53 109.52 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.467 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.2 m -69.72 146.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.076 -0.965 . . . . 1.1 112.113 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.87 156.4 37.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.486 -0.779 . . . . 3.06 109.518 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.9 pttm 47.94 33.86 3.68 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.992 0.917 . . . . 1.8 112.843 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 14.2 t 47.28 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.947 -0.57 . . . . 1.7 111.688 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 36.5 m0 -54.13 125.79 20.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.5 112.195 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.55 38.45 0.62 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.872 0.368 . . . . 2.06 110.966 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.436 ' HD1' HD23 ' A' ' 794' ' ' LEU . 23.6 t80 72.76 -47.88 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.646 0.778 . . . . 0.47 111.354 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -58.25 -47.94 81.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.01 0.433 . . . . 1.86 110.265 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 77.0 m-20 -61.7 -41.24 97.32 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.631 -0.713 . . . . 1.36 110.738 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.8 tp -62.7 -47.11 85.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.658 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.71 -42.04 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.489 -0.323 . . . . 0.51 111.092 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.42 -41.13 96.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.815 -0.175 . . . . 2.69 111.077 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.62 97.98 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.754 0.311 . . . . 0.27 110.307 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 794' ' ' LEU . 73.4 mt -60.91 -51.84 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.721 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.78 -50.51 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.21 111.554 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.4 p -65.42 -47.03 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.804 0.335 . . . . 1.29 111.507 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.47 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 55.9 tttm -68.32 -42.29 79.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 1.95 111.644 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 N--CA 1.464 0.25 0 N-CA-C 111.896 0.332 . . . . 1.56 111.896 -178.631 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.304 0 CA-C-O 120.811 0.255 . . . . 0.88 111.966 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.505 HG22 ' HE2' ' A' ' 815' ' ' LYS . 17.8 mm 66.34 141.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.461 -0.791 . . . . 1.67 109.552 -175.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 64.3 p -86.57 44.57 1.16 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.322 0.86 . . . . 1.9 113.322 -162.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.639 ' HE3' ' C ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -158.16 51.75 0.43 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.219 -1.355 . . . . 2.52 110.585 171.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 827' ' ' VAL . 43.3 pt -65.68 146.52 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 1.06 109.73 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.931 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 37.4 tttp -126.53 144.04 51.01 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.376 -0.972 . . . . 1.35 108.376 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 828' ' ' LEU . 5.9 p90 -127.64 146.05 50.68 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.855 0.836 . . . . 0.3 111.58 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 1.028 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.1 tt0 -128.38 147.33 50.63 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.789 -1.55 . . . . 1.08 108.846 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 824' ' ' ASP . 10.7 p-10 -124.07 143.75 50.27 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.135 -1.061 . . . . 1.73 108.135 -178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 83.1 tt0 -49.13 -29.47 5.39 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.27 -0.877 . . . . 3.38 112.771 -167.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.55 -33.76 60.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 5.63 110.717 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 119.04 48.7 0.35 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 1.39 112.629 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.496 ' HB3' ' OD1' ' A' ' 820' ' ' ASP . 13.1 t70 -134.45 145.42 48.85 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.874 -0.331 . . . . 1.47 111.14 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.45 124.52 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.517 0.675 . . . . 1.16 110.097 -177.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -149.92 149.81 14.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 114.101 -1.408 . . . . 1.35 108.743 -171.197 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.931 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 7.3 p -122.0 136.2 59.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 O-C-N 121.557 -0.714 . . . . 1.22 109.833 -168.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.57 155.39 44.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.911 -1.04 . . . . 1.03 110.52 -169.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 178.01 42.22 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.948 -0.644 . . . . 1.2 111.969 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -137.71 -71.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.863 -0.335 . . . . 1.93 110.881 -177.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 830' ' ' SER . 50.9 t0 171.04 -56.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.339 -0.615 . . . . 1.79 109.339 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.5 mm-40 -62.94 -37.58 87.62 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.282 -0.872 . . . . 2.93 111.376 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.52 -45.67 84.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.308 -0.405 . . . . 2.14 111.32 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.502 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 20.8 t-105 -67.64 -43.29 80.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.601 -0.272 . . . . 0.26 110.711 174.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.526 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 82.8 m-20 -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.654 -0.248 . . . . 2.0 110.677 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 832' ' ' GLU . 70.0 t -60.8 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 1.36 110.71 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -57.68 -48.11 80.44 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.855 -0.338 . . . . 0.19 110.836 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 835' ' ' ASN . 50.5 mtmt -56.86 -48.86 77.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 1.22 111.236 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.344 -0.389 . . . . 2.22 110.465 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -53.51 -49.6 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.76 110.54 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 22.9 mt -62.0 -58.29 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.62 111.188 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.89 82.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.429 -0.805 . . . . 0.61 112.515 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.98 -52.52 48.78 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.083 0.239 . . . . 2.92 111.311 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.4 m-80 -68.38 -58.96 3.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.633 -0.427 . . . . 1.53 111.974 -176.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 21.4 p30 156.24 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.04 0.838 . . . . 1.9 110.023 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 846' ' ' GLU . 1.0 OUTLIER -59.39 159.91 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.322 -0.854 . . . . 2.97 111.706 -174.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.77 -27.25 0.1 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.334 -0.394 . . . . 2.4 110.63 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.822 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 9.0 t80 -62.39 127.79 32.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.412 -0.358 . . . . 0.54 110.094 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.7 tp -128.4 142.97 50.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.522 0.677 . . . . 0.56 110.406 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 1.028 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.7 m-80 -128.73 146.73 50.81 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.377 -0.972 . . . . 0.96 108.377 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.642 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.09 127.32 70.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.628 -0.508 . . . . 0.35 109.628 -174.07 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 71.3 ttt180 -100.49 113.52 26.37 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.055 0.455 . . . . 2.38 109.814 175.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.9 mm? -94.78 56.7 2.06 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.885 -0.598 . . . . 1.56 109.754 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.531 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 48.3 p90 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.461 -0.78 . . . . 1.77 111.236 -174.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.431 ' HG2' HD23 ' A' ' 853' ' ' LEU . 2.9 pm0 . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 109.798 -0.445 . . . . 3.25 109.798 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.5 tp -89.8 137.23 21.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.75 110.004 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.568 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.3 t80 -128.23 145.69 50.96 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.37 -0.832 . . . . 0.52 109.121 -177.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.4 p -127.0 131.89 50.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.659 -0.497 . . . . 1.39 109.659 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.3 tp -149.62 147.27 27.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.036 -0.984 . . . . 0.83 109.747 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.536 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 7.4 tp -126.09 116.74 21.85 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.914 -0.772 . . . . 1.53 108.914 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.587 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.7 m -67.37 123.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.1 111.601 -170.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -83.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 3.06 110.935 -172.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 1.7 mppt? -83.09 35.66 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.637 -0.256 . . . . 1.8 111.4 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 76.3 t 71.17 -47.18 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 122.854 0.461 . . . . 1.7 110.938 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 53.2 m0 72.09 127.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.727 0.811 . . . . 0.5 111.671 175.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.8 44.64 1.13 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.769 -0.456 . . . . 2.06 109.769 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.514 ' HD1' HD23 ' A' ' 794' ' ' LEU . 15.5 t80 71.82 -45.05 0.61 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.819 0.847 . . . . 0.47 111.815 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 1.86 110.259 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.441 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 1.6 t70 -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 1.36 110.438 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.514 HD23 ' HD1' ' A' ' 791' ' ' PHE . 4.2 tp -61.57 -46.14 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.06 -0.973 . . . . 0.22 110.723 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.51 110.658 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.31 -44.83 88.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 2.69 111.078 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.71 88.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.27 110.643 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 794' ' ' LEU . 82.5 mt -57.65 -53.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.67 111.198 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.36 -36.75 84.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.508 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.5 t -62.53 -47.71 82.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.061 0.458 . . . . 1.29 110.336 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' LYS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 28.9 mmmt -69.4 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.95 111.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 47.7 mt . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 116.419 -0.355 . . . . 1.56 111.642 -175.618 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' PRO . . . . . 0.798 ' HB2' HG23 ' A' ' 816' ' ' ILE . 6.0 Cg_exo . . . . . 0 N--CA 1.457 -0.638 0 CA-C-O 121.889 0.704 . . . . 0.88 111.219 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' ILE . . . . . 0.887 HG22 ' HE2' ' A' ' 815' ' ' LYS . 8.9 mm 68.13 15.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 114.377 -1.283 . . . . 1.67 111.801 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 11.1 p 69.62 -41.48 0.48 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.343 1.457 . . . . 1.9 113.59 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.887 ' HE2' HG22 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -115.17 59.13 0.71 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.175 0.988 . . . . 2.52 110.137 177.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.798 HG23 ' HB2' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -46.04 150.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 113.651 -1.613 . . . . 1.06 110.471 173.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.452 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 18.0 ttmm -126.51 145.13 50.63 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.962 -1.125 . . . . 1.35 107.962 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.0 p90 -126.39 146.02 50.23 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.69 0.757 . . . . 0.3 110.42 -169.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.851 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 26.2 tt0 -127.72 145.34 50.93 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.056 -1.429 . . . . 1.08 108.657 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.455 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 0.2 OUTLIER -126.74 137.33 53.23 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.422 -0.584 . . . . 1.73 109.422 -174.222 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 68.1 mt-10 55.17 25.12 6.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.571 -1.195 . . . . 3.38 111.636 -175.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.762 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 35.4 t70 54.54 51.75 13.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.124 -0.489 . . . . 5.63 111.294 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -161.59 -25.91 0.02 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 119.379 -1.391 . . . . 1.39 114.943 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 44.0 t0 -126.98 147.5 50.12 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.961 0.88 . . . . 1.47 110.427 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.45 ' CE1' ' OE1' ' A' ' 819' ' ' GLN . 12.3 m-85 -124.92 131.26 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.7 0.762 . . . . 1.16 111.838 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 43.4 t -145.13 148.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.054 -1.43 . . . . 1.35 107.649 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.49 139.73 49.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 118.573 0.624 . . . . 1.22 109.424 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 833' ' ' ASP . 1.3 pp -128.16 162.68 26.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.757 . . . . 1.03 112.782 -166.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 169.6 -35.14 0.18 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 114.34 -1.3 . . . . 1.2 110.534 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 831' ' ' ASP . 0.6 OUTLIER -72.55 -8.29 54.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.212 -0.494 . . . . 1.93 111.45 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 830' ' ' SER . 36.4 t70 77.82 -37.48 0.24 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.681 0.793 . . . . 1.79 111.0 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.06 -40.72 81.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.048 0.452 . . . . 2.93 110.413 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.0 OUTLIER -58.18 -43.91 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.038 -0.983 . . . . 2.14 110.266 175.02 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.615 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.7 t-105 -66.91 -42.1 85.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.498 -0.774 . . . . 0.26 110.689 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.493 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 72.9 m-20 -58.32 -45.86 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.556 -0.293 . . . . 2.0 111.221 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 833' ' ' ASP . 19.0 m -66.91 -36.37 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.585 -0.446 . . . . 1.36 110.847 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -47.52 85.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.593 0.235 . . . . 0.19 110.767 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 51.9 mtmt -59.43 -44.42 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 1.22 110.81 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 843' ' ' GLU . 51.7 mm-40 -56.59 -49.88 73.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.282 0.563 . . . . 2.22 110.008 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 41.4 ttp -53.82 -51.98 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.751 -1.113 . . . . 0.76 111.302 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 67.1 mt -60.38 -43.3 96.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.012 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.26 64.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.61 112.004 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 839' ' ' GLU . 56.1 mt-10 -63.93 -44.15 93.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 2.92 110.284 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -65.57 -34.38 78.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 1.53 111.149 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 72.29 20.04 4.22 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.591 0.756 . . . . 1.9 109.27 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 47.1 tp10 -94.1 -45.4 7.57 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.737 -1.12 . . . . 2.97 110.161 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . 0.685 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 36.7 ttmt 69.08 -19.24 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.286 0.847 . . . . 2.4 113.286 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.31 124.57 20.97 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.54 110.414 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 20.3 tp -128.35 140.42 51.87 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.55 -0.75 . . . . 0.56 109.846 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.851 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 1.6 m120 -128.35 145.97 50.91 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.522 -1.288 . . . . 0.96 107.522 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.568 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.8 OUTLIER -126.8 127.8 70.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.564 -0.532 . . . . 0.35 109.564 -173.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.406 ' HB2' ' HE2' ' A' ' 825' ' ' PHE . 51.6 ttt180 -106.96 127.59 53.58 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.721 -0.672 . . . . 2.38 110.265 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 779' ' ' GLU . 2.8 mm? -103.69 137.79 41.23 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.172 -1.047 . . . . 1.56 108.172 175.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.452 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 24.4 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.762 -0.637 . . . . 1.77 110.22 -173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 111.711 0.263 . . . . 3.17 111.711 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.419 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 5.9 pt-20 -56.7 126.23 25.87 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.248 0.547 . . . . 3.25 111.336 -177.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.733 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.4 tp -107.32 141.53 22.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.06 -0.973 . . . . 0.75 110.71 -177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.577 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.9 t80 -130.37 145.87 51.86 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.964 -1.016 . . . . 0.52 108.839 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.615 HG22 ' OD1' ' A' ' 850' ' ' ASN . 67.5 p -126.68 126.77 44.08 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.927 -0.398 . . . . 1.39 109.927 -175.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 17.7 tp -150.51 147.22 27.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.243 -0.889 . . . . 0.83 109.994 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.6 mp -125.75 126.2 44.21 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.918 -0.489 . . . . 1.53 109.932 -178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.697 HG11 ' HH2' ' A' ' 834' ' ' TRP . 17.1 m -72.4 87.3 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 114.627 -1.17 . . . . 1.1 113.195 -169.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -74.22 140.94 45.4 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.861 -0.609 . . . . 3.06 110.786 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 22.8 pttp 46.74 32.02 1.61 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.571 1.148 . . . . 1.8 113.455 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.4 t 49.62 90.54 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.523 0.678 . . . . 1.7 112.585 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.487 ' CE3' HG12 ' A' ' 785' ' ' VAL . 22.5 m0 -68.62 140.28 55.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.56 -0.745 . . . . 0.5 112.889 -178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.71 42.32 1.01 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.839 -0.618 . . . . 2.06 110.549 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.515 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.9 t80 69.69 -54.78 0.6 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.992 0.917 . . . . 0.47 112.174 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.93 -41.53 96.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.221 0.534 . . . . 1.86 109.729 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.69 -39.39 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.304 -0.862 . . . . 1.36 110.092 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.1 tp -67.06 -45.8 76.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.017 -0.992 . . . . 0.22 110.83 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 34.2 mm -60.95 -49.04 86.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 120.823 0.344 . . . . 0.51 111.019 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -40.88 88.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 2.69 110.96 178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.2 99.07 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.425 -0.352 . . . . 0.27 110.923 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 794' ' ' LEU . 79.6 mt -57.21 -49.76 78.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.608 . . . . 0.67 110.411 176.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.73 -37.94 87.77 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.005 -0.543 . . . . 1.21 111.038 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 804' ' ' ASN . 49.7 m -54.09 -46.09 71.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.169 0.509 . . . . 1.29 109.837 177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.437 ' HG3' ' HZ ' ' A' ' 781' ' ' PHE . 46.0 mmtm -69.23 -56.49 7.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.743 -0.662 . . . . 1.95 112.07 175.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 51.6 mt -73.11 115.34 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.637 -0.256 . . . . 1.56 111.57 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.569 ' HB2' ' HB2' ' A' ' 807' ' ' ASN . 69.2 p 47.05 59.89 3.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.826 -0.625 . . . . 2.88 111.489 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.423 ' HB3' ' O ' ' A' ' 800' ' ' SER . 10.3 p-10 -56.29 -23.38 36.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.57 -0.741 . . . . 5.02 111.874 -178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.8 p -56.41 -91.69 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.013 -0.54 . . . . 5.49 111.972 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -165.15 37.52 0.06 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.157 0.503 . . . . 6.49 111.37 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.569 ' HB2' ' HB2' ' A' ' 803' ' ' SER . 65.5 m-80 -86.21 -131.11 0.05 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.924 -0.58 . . . . 5.72 110.051 175.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -76.41 49.95 0.62 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.397 0.618 . . . . 5.77 111.173 177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -91.68 43.35 1.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.556 0.693 . . . . 3.06 110.431 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 42.4 mm -120.57 -48.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.763 0.792 . . . . 3.44 109.202 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 66.0 m -157.39 132.64 5.59 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.017 -0.992 . . . . 1.89 109.176 177.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 11.9 Cg_exo -73.06 54.08 2.6 Favored 'Trans proline' 0 CA--C 1.528 0.191 0 C-N-CA 123.058 2.505 . . . . 0.88 112.388 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 813' ' ' ILE . 35.2 mm 68.1 -3.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.938 -0.573 . . . . 1.67 110.889 -179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.43 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 44.8 p 59.13 9.2 1.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.427 1.091 . . . . 1.9 111.59 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.535 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.0 mmpt? -103.79 43.32 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.081 -0.509 . . . . 2.52 109.972 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.821 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -70.91 134.26 30.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.867 0.842 . . . . 1.06 111.366 -176.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.92 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 31.6 tttp -127.26 139.69 52.74 Favored 'General case' 0 C--N 1.311 -1.094 0 N-CA-C 107.163 -1.421 . . . . 1.35 107.163 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.652 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 14.3 p90 -127.61 145.76 50.77 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.817 0.818 . . . . 0.3 111.697 -170.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.933 ' HG2' HD22 ' A' ' 850' ' ' ASN . 2.9 tt0 -128.39 144.22 51.11 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.421 -1.263 . . . . 1.08 109.42 -178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.522 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.4 p30 -126.61 141.04 51.98 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.04 -0.527 . . . . 1.73 109.995 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 59.1 tt0 59.4 18.43 6.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.286 -0.87 . . . . 3.38 110.165 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.7 t0 53.71 38.69 28.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.325 -0.852 . . . . 5.63 110.972 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -140.23 -29.05 0.2 Allowed Glycine 0 C--N 1.335 0.502 0 C-N-CA 119.805 -1.188 . . . . 1.39 114.424 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 11.1 t70 -127.63 145.41 50.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 117.747 0.774 . . . . 1.47 110.223 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -125.71 128.96 48.6 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.594 0.712 . . . . 1.16 111.328 -172.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -150.14 148.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.381 -1.281 . . . . 1.35 108.855 -173.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.92 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 8.4 p -123.87 141.63 43.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 121.518 -0.739 . . . . 1.22 110.547 -169.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.631 HD23 ' CD1' ' A' ' 818' ' ' TYR . 4.6 pp -129.74 172.59 11.47 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.473 -0.785 . . . . 1.03 111.14 -171.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.04 -48.89 0.03 OUTLIER Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.914 -0.875 . . . . 1.2 110.914 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -83.09 144.57 29.79 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.221 -0.659 . . . . 1.93 109.221 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -67.62 65.94 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.356 0.598 . . . . 1.79 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -149.09 -47.35 0.14 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.031 -0.729 . . . . 2.93 109.031 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.439 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 31.6 m-20 -62.94 -37.14 85.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.606 -0.725 . . . . 2.14 109.205 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.697 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.2 t-105 -65.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.123 -0.944 . . . . 0.26 110.759 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.07 -46.09 90.73 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.631 -0.507 . . . . 2.0 109.631 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.64 -45.69 86.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.369 -0.832 . . . . 1.36 110.636 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.91 -50.22 73.07 Favored 'General case' 0 C--O 1.227 -0.116 0 N-CA-C 111.884 0.327 . . . . 0.19 111.884 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.538 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 51.6 mtmt -57.87 -45.44 86.32 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 121.148 -0.221 . . . . 1.22 110.836 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.47 -42.21 98.42 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.041 0.448 . . . . 2.22 110.344 177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 38.6 ttp -57.8 -55.68 31.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.34 -0.845 . . . . 0.76 110.379 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.3 mt -54.46 -49.49 69.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.255 -0.43 . . . . 0.62 111.348 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.69 71.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.206 0.447 . . . . 0.61 112.206 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -68.58 -46.2 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 2.92 110.865 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.539 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.4 m120 -64.59 -35.3 80.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.001 -0.545 . . . . 1.53 110.428 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.539 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 96.2 -12.53 0.09 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.739 1.216 . . . . 1.9 109.788 -175.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -71.54 152.92 42.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.318 -0.855 . . . . 2.97 110.364 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 82.6 tttt -142.47 -17.02 0.72 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.283 -0.417 . . . . 2.4 110.617 -174.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -61.89 124.8 21.77 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 109.74 -0.467 . . . . 0.54 109.74 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.0 tp -128.42 144.22 51.11 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-O 121.349 0.595 . . . . 0.56 109.413 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.933 HD22 ' HG2' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.13 145.41 51.02 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 108.274 -1.009 . . . . 0.96 108.274 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.651 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -126.93 124.43 64.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.212 -0.662 . . . . 0.35 109.212 -175.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.59 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.4 ttm180 -106.71 137.98 43.73 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 116.274 -0.421 . . . . 2.38 110.6 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 852' ' ' ARG . 12.7 mt -119.65 138.1 53.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 107.712 -1.218 . . . . 1.56 107.712 167.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--N 1.312 -1.035 0 CA-C-O 118.231 -0.89 . . . . 1.77 110.943 -165.64 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.892 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 13.7 p . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.639 0.256 . . . . 3.17 111.434 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.641 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 6.0 pt-20 -69.19 123.51 21.32 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.221 0.534 . . . . 3.25 109.852 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.756 HD11 ' HB3' ' A' ' 850' ' ' ASN . 6.6 tp -91.0 139.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.624 -0.716 . . . . 0.75 109.576 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.64 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.8 t80 -127.57 145.25 50.93 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.818 -0.808 . . . . 0.52 108.818 -179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.1 m -127.29 128.86 46.65 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.838 -0.43 . . . . 1.39 109.838 -176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.6 tp -149.98 147.64 28.1 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.638 -1.165 . . . . 0.83 109.376 -169.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.7 mp -125.46 121.94 35.22 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.359 -0.608 . . . . 1.53 109.359 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.689 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.5 t -71.35 123.78 26.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 114.055 -1.43 . . . . 1.1 112.037 -167.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -80.2 -115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.048 -0.978 . . . . 3.06 111.138 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.785 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -76.53 54.71 0.96 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 1.8 111.821 -177.644 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.56 ' CG1' ' HD2' ' A' ' 838' ' ' LYS . 88.9 t 71.38 -50.61 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 C-N-CA 123.024 0.53 . . . . 1.7 112.003 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.689 ' CE3' HG13 ' A' ' 785' ' ' VAL . 51.5 m0 71.08 124.26 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.271 0.628 . . . . 0.5 111.507 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -83.92 47.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.978 -0.451 . . . . 2.06 110.8 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.426 ' HD1' HD23 ' A' ' 794' ' ' LEU . 25.5 t80 69.65 -47.48 0.6 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.094 0.958 . . . . 0.47 112.274 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 796' ' ' MET . 54.1 m-20 -60.84 -40.09 91.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.663 0.268 . . . . 1.86 110.628 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -61.91 -41.26 97.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.314 0.578 . . . . 1.36 110.236 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.4 tp -62.42 -43.86 97.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.872 -1.058 . . . . 0.22 110.198 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 46.4 mm -63.28 -42.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.177 -0.465 . . . . 0.51 110.849 175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.513 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.1 mtp -59.46 -44.8 92.9 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.851 0.358 . . . . 2.69 111.133 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.63 96.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.052 0.453 . . . . 0.27 110.359 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 794' ' ' LEU . 77.4 mt -60.23 -47.48 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.423 -0.808 . . . . 0.67 110.689 176.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.731 ' HA ' ' ND2' ' A' ' 809' ' ' ASN . 6.3 m120 -60.82 -43.29 98.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.515 -0.766 . . . . 1.21 111.367 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 13.4 t -67.38 -50.43 59.69 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.105 -0.498 . . . . 1.29 110.874 -177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -68.93 -51.04 44.03 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.657 0.614 . . . . 1.95 112.657 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.49 ' HB ' ' ND2' ' A' ' 809' ' ' ASN . 54.6 mt -69.85 128.74 33.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.631 0.253 . . . . 1.56 110.472 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 24.9 t -171.26 154.03 3.83 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.288 -1.004 . . . . 2.88 108.288 -177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.58 64.24 0.81 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 121.381 0.61 . . . . 5.02 110.648 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 806' ' ' HIS . 9.9 t -172.67 -36.94 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.956 -1.02 . . . . 5.49 110.274 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.456 ' CD2' HG23 ' A' ' 805' ' ' THR . 94.5 m-70 -114.78 164.4 14.14 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.079 -0.711 . . . . 6.49 109.079 175.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -58.4 -39.7 80.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.225 0.536 . . . . 5.72 109.62 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.417 HD22 ' N ' ' A' ' 808' ' ' ASN . 0.0 OUTLIER -163.61 126.28 2.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.005 -0.998 . . . . 5.77 109.721 171.445 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.731 ' ND2' ' HA ' ' A' ' 799' ' ' ASN . 62.1 t30 -85.3 61.53 6.92 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.269 0.557 . . . . 3.06 111.075 -172.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 45.2 mm -76.84 -41.26 32.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.714 0.769 . . . . 3.44 109.137 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.472 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 70.0 m -144.23 133.63 11.49 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.132 -0.94 . . . . 1.89 109.038 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.0 Cg_exo -75.77 52.78 3.45 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.192 2.595 . . . . 0.88 111.984 -176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 17.8 mm 70.83 -16.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.512 0.725 . . . . 1.67 110.985 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.498 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 0.0 OUTLIER 58.29 11.52 1.63 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.271 1.029 . . . . 1.9 111.72 -174.635 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.679 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.5 mmpt? -106.41 37.74 2.23 Favored 'General case' 0 CA--C 1.512 -0.494 0 N-CA-C 108.793 -0.817 . . . . 2.52 108.793 173.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.667 HD13 ' H ' ' A' ' 816' ' ' ILE . 0.2 OUTLIER -72.05 152.22 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.885 -1.052 . . . . 1.06 111.527 -173.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.966 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.8 mttt -126.55 146.06 50.28 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.712 -1.585 . . . . 1.35 107.478 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.686 ' HD2' HD12 ' A' ' 828' ' ' LEU . 7.3 p90 -126.25 143.85 51.0 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.654 0.74 . . . . 0.3 109.734 -175.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.914 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.2 tt0 -128.47 141.05 51.51 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.038 -1.437 . . . . 1.08 109.057 -174.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.446 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 3.5 p30 -126.41 139.88 52.92 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.914 -0.585 . . . . 1.73 110.012 -171.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 56.21 19.92 4.19 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.615 -1.175 . . . . 3.38 110.72 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.44 ' HA ' HE21 ' A' ' 819' ' ' GLN . 27.1 t70 54.29 44.25 29.3 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.217 -0.901 . . . . 5.63 110.878 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -147.31 -27.09 0.08 OUTLIER Glycine 0 CA--C 1.521 0.446 0 C-N-CA 119.882 -1.151 . . . . 1.39 114.401 -174.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 1.8 m-20 -127.23 145.88 50.61 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 117.627 0.713 . . . . 1.47 110.506 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.36 128.94 47.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.577 0.703 . . . . 1.16 110.943 -172.558 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.3 148.98 14.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 114.455 -1.248 . . . . 1.35 109.009 -172.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.872 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 7.4 p -123.31 138.65 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 121.445 -0.784 . . . . 1.22 110.996 -169.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.686 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -133.61 168.88 17.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.173 -0.921 . . . . 1.03 110.837 -173.403 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -172.03 -35.37 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.797 -0.716 . . . . 1.2 111.93 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.0 p -79.04 -74.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.572 0.225 . . . . 1.93 111.244 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 17.2 t70 179.64 -45.58 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.069 -0.514 . . . . 1.79 110.552 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 832' ' ' GLU . 5.3 mp0 -52.63 -45.85 66.8 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.363 -0.835 . . . . 2.93 111.94 -174.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 836' ' ' VAL . 56.8 m-20 -66.25 -37.73 86.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.224 -0.444 . . . . 2.14 111.169 -177.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.644 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 18.5 t-105 -67.83 -40.46 83.77 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.549 -0.46 . . . . 0.26 109.783 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.549 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.3 t30 -58.69 -47.27 85.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 2.0 111.188 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 833' ' ' ASP . 7.4 p -65.24 -36.56 78.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 C-N-CA 120.817 -0.353 . . . . 1.36 110.576 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.1 -51.66 68.68 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.562 0.22 . . . . 0.19 111.245 176.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 49.0 mtmt -56.68 -47.81 79.04 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.253 -0.431 . . . . 1.22 110.708 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.42 -44.68 95.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.671 -0.695 . . . . 2.22 110.708 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.446 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.9 ttp -53.55 -50.64 65.08 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.716 -0.675 . . . . 0.76 111.182 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 24.7 mt -59.68 -57.25 13.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.061 -0.518 . . . . 0.62 110.974 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.79 -47.95 82.86 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.817 -0.629 . . . . 0.61 112.236 -176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -65.44 -52.11 55.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.064 -0.517 . . . . 2.92 111.313 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.0 m-80 -68.78 -58.6 3.97 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.061 -0.255 . . . . 1.53 111.28 -177.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 19.4 p30 158.42 -30.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.955 0.785 . . . . 1.9 110.784 176.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.13 -178.82 0.67 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.924 1.083 . . . . 2.97 113.924 -169.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -164.43 -23.95 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 113.649 -1.614 . . . . 2.4 109.932 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -58.22 123.72 17.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.632 -0.507 . . . . 0.54 109.632 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.2 tp -130.75 142.94 50.43 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-O 121.58 0.705 . . . . 0.56 109.806 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.914 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.3 m-80 -128.29 146.03 50.88 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.864 -1.162 . . . . 0.96 107.864 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.64 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.9 OUTLIER -125.96 124.74 66.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.981 -0.748 . . . . 0.35 108.981 -173.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.966 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.2 ttt85 -95.97 122.46 38.81 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-N 115.594 -0.73 . . . . 2.38 110.44 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.641 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 6.4 mp -114.38 63.58 0.66 Allowed 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 107.959 -1.126 . . . . 1.56 107.959 169.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.892 ' HA ' ' HA ' ' A' ' 778' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.241 0.657 0 CA-C-N 113.396 -1.729 . . . . 1.77 111.899 -175.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.532 -0.173 . . . . 3.17 110.532 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.578 ' HB3' ' HE ' ' A' ' 852' ' ' ARG . 83.8 mt-10 55.24 45.94 24.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 122.294 1.045 . . . . 3.25 109.899 -175.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 779' ' ' GLU . 0.4 OUTLIER 170.04 128.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 112.592 -2.095 . . . . 0.75 108.904 176.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.436 ' N ' HD13 ' A' ' 780' ' ' ILE . 26.4 t80 -149.59 146.67 27.44 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.115 -1.069 . . . . 0.52 108.115 -175.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.7 t -126.3 132.87 51.56 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.385 0.612 . . . . 1.39 110.641 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.1 tp -150.14 148.18 28.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 113.932 -1.485 . . . . 0.83 109.065 -169.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.509 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 8.3 tp -125.02 118.63 26.64 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.21 -0.663 . . . . 1.53 109.21 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.517 HG11 ' HH2' ' A' ' 834' ' ' TRP . 24.8 m -64.8 132.82 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.013 -0.994 . . . . 1.1 111.408 -172.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -94.54 -116.64 0.1 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.4 -0.818 . . . . 3.06 110.81 -175.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.467 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.1 OUTLIER -73.6 42.77 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.439 0.533 . . . . 1.8 112.439 -176.584 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.2 t 61.25 81.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.562 0.696 . . . . 1.7 110.953 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.453 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 26.6 m0 -63.96 138.0 58.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.151 -0.931 . . . . 0.5 112.479 -177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.95 41.37 0.86 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.052 -0.522 . . . . 2.06 110.68 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.482 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.8 t80 68.96 -51.87 0.58 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.658 0.783 . . . . 0.47 111.933 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.47 -43.16 99.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.001 0.429 . . . . 1.86 109.965 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 796' ' ' MET . 3.1 m-20 -62.08 -41.49 98.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.534 -0.757 . . . . 1.36 110.186 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.2 tp -64.01 -42.73 97.05 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.085 -0.962 . . . . 0.22 110.499 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 791' ' ' PHE . 28.3 mm -61.54 -51.03 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.458 -0.337 . . . . 0.51 111.668 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.41 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 27.0 ptm -62.64 -36.62 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.138 -0.225 . . . . 2.69 110.405 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 801' ' ' LYS . . . -62.38 -51.25 68.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.27 110.454 175.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 794' ' ' LEU . 94.0 mt -53.85 -50.67 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.196 0.522 . . . . 0.67 110.879 176.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.656 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 1.8 m120 -58.17 -51.24 70.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.356 -0.838 . . . . 1.21 111.941 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 29.7 t -65.43 -39.25 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.275 -0.42 . . . . 1.29 111.387 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 797' ' ' ALA . 29.0 mmmt -68.05 -42.26 80.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.341 -0.224 . . . . 1.95 111.151 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 59.2 mt -72.18 -53.1 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.661 0.267 . . . . 1.56 111.409 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 12.0 m -103.14 37.52 1.96 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.673 -0.24 . . . . 2.88 111.536 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.03 -45.66 64.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.795 0.331 . . . . 5.02 111.848 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 10.8 t -76.85 -36.84 56.53 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.962 0.356 . . . . 5.49 111.962 -177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -78.12 -58.64 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.642 0.608 . . . . 6.49 112.642 -175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -173.52 155.92 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.414 -0.587 . . . . 5.72 109.414 -173.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.656 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 1.0 OUTLIER -59.09 -12.54 5.03 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.652 0.241 . . . . 5.77 111.652 178.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.454 ' HB3' ' HB3' ' A' ' 799' ' ' ASN . 17.7 t-20 71.01 135.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.557 0.743 . . . . 3.06 112.063 170.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 50.2 mm -77.75 -46.84 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.29 -0.868 . . . . 3.44 111.335 -177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.451 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 43.7 p -157.77 138.95 9.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.89 110.397 -176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 1.6 Cg_endo -78.19 53.05 4.32 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.185 2.59 . . . . 0.88 111.686 179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.445 ' C ' ' H ' ' A' ' 815' ' ' LYS . 35.6 mm 73.21 -14.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.78 -0.646 . . . . 1.67 111.591 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 27.8 p 70.46 -29.63 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.656 1.182 . . . . 1.9 111.707 -176.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.5 OUTLIER -75.58 67.35 2.06 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.792 -0.448 . . . . 2.52 109.792 173.414 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.9 pt -99.65 139.67 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-O 122.212 1.006 . . . . 1.06 111.845 -174.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.657 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 79.8 mttt -127.8 146.65 50.53 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 113.722 -1.581 . . . . 1.35 108.294 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.5 p90 -126.74 145.14 50.71 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-O 121.331 0.586 . . . . 0.3 109.849 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.9 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 7.0 tt0 -128.15 143.19 51.03 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.951 -1.022 . . . . 1.08 109.313 -176.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.71 144.46 50.92 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.247 -0.649 . . . . 1.73 109.247 -176.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 84.9 mt-10 62.94 9.14 3.54 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.25 -0.886 . . . . 3.38 112.073 -175.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 42.1 t0 57.58 50.59 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.982 0.42 . . . . 5.63 110.131 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -158.71 -24.94 0.03 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 120.226 -0.988 . . . . 1.39 114.088 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 35.8 t70 -127.8 145.4 50.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.427 0.614 . . . . 1.47 110.325 -176.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -125.28 131.84 53.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.707 0.765 . . . . 1.16 110.996 -175.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.554 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 23.9 t -137.79 149.21 25.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 114.304 -1.316 . . . . 1.35 108.329 -176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.657 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 11.9 p -123.4 133.77 68.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.238 -0.653 . . . . 1.22 109.238 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.1 pp -128.51 156.79 42.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.347 -0.842 . . . . 1.03 111.535 -169.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -171.59 -30.01 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.523 -0.762 . . . . 1.2 112.054 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.6 m -82.34 14.52 2.92 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.771 -0.252 . . . . 1.93 111.451 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.01 -45.76 0.55 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.759 0.824 . . . . 1.79 112.385 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.754 ' HA ' HD22 ' A' ' 835' ' ' ASN . 39.3 mm-40 -57.98 -36.07 72.1 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.882 0.372 . . . . 2.93 111.081 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.513 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 1.6 m-20 -56.18 -40.32 73.77 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.918 -0.583 . . . . 2.14 110.669 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.517 ' HH2' HG11 ' A' ' 785' ' ' VAL . 33.1 t-105 -64.96 -41.78 95.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.67 -0.696 . . . . 0.26 110.654 178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.754 HD22 ' HA ' ' A' ' 832' ' ' GLU . 76.3 m-20 -58.6 -41.68 86.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.263 -0.426 . . . . 2.0 110.072 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 59.9 t -59.18 -45.05 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.641 -0.708 . . . . 1.36 110.664 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.85 -47.22 87.34 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.66 0.244 . . . . 0.19 111.66 179.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 7.4 mtmp? -57.76 -50.38 73.43 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.083 0.468 . . . . 1.22 110.723 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -41.19 98.3 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.368 -0.833 . . . . 2.22 110.152 -179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 38.2 ttp -52.33 -51.08 60.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.069 -0.514 . . . . 0.76 110.575 175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 25.8 mt -59.7 -57.49 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.62 110.96 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.88 -48.96 76.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.697 -0.683 . . . . 0.61 112.621 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.85 -50.09 65.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 2.92 111.197 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 1.7 m120 -68.69 -59.18 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.565 -0.454 . . . . 1.53 110.987 -176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 20.7 p30 152.34 -26.5 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.053 0.941 . . . . 1.9 110.026 176.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.497 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 13.7 tp10 -67.41 168.98 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.461 -0.791 . . . . 2.97 111.728 -172.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.509 ' HG2' ' HG ' ' A' ' 784' ' ' LEU . 36.6 ttmt -154.65 -22.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.957 -0.565 . . . . 2.4 110.96 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -58.55 124.32 19.25 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 110.261 -0.274 . . . . 0.54 110.261 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 819' ' ' GLN . 18.9 tp -128.9 145.34 51.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.355 0.598 . . . . 0.56 110.606 -178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.9 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.6 m-80 -133.76 145.27 49.65 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.942 -0.762 . . . . 0.96 108.942 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.649 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -128.17 129.99 69.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.634 0.254 . . . . 0.35 110.764 -176.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.578 ' HE ' ' HB3' ' A' ' 779' ' ' GLU . 74.8 ttt180 -112.68 118.75 35.9 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 120.853 -0.339 . . . . 2.38 111.035 176.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.586 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -111.99 133.82 53.92 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.019 -1.104 . . . . 1.56 108.019 168.658 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 817' ' ' LYS . 32.2 p90 . . . . . 0 C--N 1.314 -0.973 0 CA-C-O 118.378 -0.82 . . . . 1.77 110.907 -165.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.922 0.392 . . . . 3.17 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 853' ' ' LEU . 1.6 pm0 -63.41 117.9 7.33 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.686 -0.688 . . . . 3.25 110.15 177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 5.8 tp -100.08 138.46 24.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.929 -1.032 . . . . 0.75 109.484 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.491 ' HD2' HG13 ' A' ' 851' ' ' ILE . 12.2 t80 -128.15 145.32 51.06 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 109.243 -0.651 . . . . 0.52 109.243 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 95.7 m -127.06 131.44 50.91 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.408 -0.59 . . . . 1.39 109.408 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 15.5 tp -149.64 146.28 27.2 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.043 -0.98 . . . . 0.83 109.975 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.92 118.68 25.03 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.23 -0.656 . . . . 1.53 109.23 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.486 HG11 ' HH2' ' A' ' 834' ' ' TRP . 10.8 m -68.16 129.29 32.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.008 -0.542 . . . . 1.1 111.033 -173.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 787' ' ' LYS . 27.1 tp10 -95.45 -108.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.791 -0.64 . . . . 3.06 111.109 -173.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.654 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER -76.12 47.43 0.45 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.176 0.436 . . . . 1.8 112.176 -175.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 22.5 t 57.56 70.27 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.327 0.584 . . . . 1.7 110.781 176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 40.8 m0 -55.79 134.64 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.355 -0.839 . . . . 0.5 111.563 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -94.82 48.47 1.2 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.224 0.535 . . . . 2.06 110.65 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.449 ' O ' HG12 ' A' ' 795' ' ' ILE . 18.9 t80 71.18 -53.27 0.68 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.682 0.793 . . . . 0.47 111.578 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -60.79 -42.04 96.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.954 0.407 . . . . 1.86 110.171 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.632 ' O ' ' HG2' ' A' ' 796' ' ' MET . 43.5 m-20 -63.93 -41.91 97.5 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.59 0.709 . . . . 1.36 110.674 176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 798' ' ' ILE . 2.6 tp -63.69 -40.73 97.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.078 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 791' ' ' PHE . 34.5 mm -64.91 -45.87 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.322 -0.399 . . . . 0.51 111.543 177.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 793' ' ' ASP . 25.5 ptm -61.91 -36.91 82.73 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 120.982 -0.287 . . . . 2.69 110.546 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.51 88.4 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.009 0.433 . . . . 0.27 110.353 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 794' ' ' LEU . 78.2 mt -59.2 -46.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.665 -0.698 . . . . 0.67 110.678 175.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.601 ' HA ' ' ND2' ' A' ' 809' ' ' ASN . 6.3 m120 -59.32 -47.99 83.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.357 -0.838 . . . . 1.21 111.828 -175.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.3 p -68.41 -47.75 66.45 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.758 0.313 . . . . 1.29 111.495 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -68.87 -45.25 71.5 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.778 0.658 . . . . 1.95 112.778 -175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.51 ' HB ' HD21 ' A' ' 809' ' ' ASN . 42.3 mt -78.16 137.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.748 0.308 . . . . 1.56 110.476 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -94.46 -158.79 0.66 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.011 0.434 . . . . 2.88 110.868 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 808' ' ' ASN . 0.1 OUTLIER -77.15 63.82 2.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 5.02 112.075 -178.393 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 19.2 p -59.03 -55.46 34.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.111 -0.495 . . . . 5.49 111.746 -176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -115.66 -64.11 1.36 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.124 0.487 . . . . 6.49 109.755 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -132.67 112.18 11.8 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.347 -0.982 . . . . 5.72 108.347 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 804' ' ' ASN . 3.7 p30 33.28 -130.44 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.385 1.053 . . . . 5.77 111.525 -177.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.601 ' ND2' ' HA ' ' A' ' 799' ' ' ASN . 52.4 t30 -175.18 42.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.27 0.557 . . . . 3.06 110.541 173.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 47.6 mm -70.16 -43.07 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 108.313 -0.995 . . . . 3.44 108.313 172.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.478 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 49.4 m -130.43 130.53 23.0 Favored Pre-proline 0 N--CA 1.443 -0.785 0 CA-C-N 114.405 -1.271 . . . . 1.89 108.686 171.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 8.0 Cg_exo -73.56 49.97 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 123.155 2.57 . . . . 0.88 111.659 -178.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 22.2 mm 71.4 -10.73 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 115.48 -0.782 . . . . 1.67 110.847 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.517 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 52.3 p 59.96 11.42 2.61 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.409 1.084 . . . . 1.9 111.244 -175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.73 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -111.95 47.22 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 2.52 109.603 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 828' ' ' LEU . 34.2 pt -84.52 141.53 14.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-O 121.742 0.782 . . . . 1.06 111.115 -175.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -126.71 143.79 51.13 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 106.958 -1.497 . . . . 1.35 106.958 174.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CD2' HD23 ' A' ' 828' ' ' LEU . 12.0 p90 -126.54 147.45 49.86 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-O 121.338 0.59 . . . . 0.3 110.406 -164.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.012 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.8 tt0 -126.3 144.85 50.65 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.525 -1.216 . . . . 1.08 108.867 -173.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.54 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 0.2 OUTLIER -126.55 148.12 49.78 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.269 -0.878 . . . . 1.73 109.601 -170.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -32.58 -36.84 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.058 1.743 . . . . 3.38 113.675 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -61.18 -31.47 71.21 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.219 0.533 . . . . 5.63 111.272 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 105.75 48.75 1.0 Allowed Glycine 0 N--CA 1.451 -0.3 0 N-CA-C 110.876 -0.889 . . . . 1.39 110.876 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.585 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 36.9 t70 -134.89 149.4 50.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.293 -0.453 . . . . 1.47 111.11 -171.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -123.59 129.4 51.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 122.034 0.921 . . . . 1.16 110.911 -175.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.561 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 75.1 t -141.34 148.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 113.863 -1.517 . . . . 1.35 107.91 -176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.6 p -123.15 135.49 62.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 118.323 0.51 . . . . 1.22 109.665 -172.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.685 HD11 HD11 ' A' ' 816' ' ' ILE . 4.4 pp -128.86 156.85 43.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.03 -0.986 . . . . 1.03 111.866 -166.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 171.56 32.28 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.856 0 CA-C-N 115.258 -0.883 . . . . 1.2 112.043 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 8.4 t -154.92 27.78 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.723 0.262 . . . . 1.93 110.917 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 66.63 -54.45 0.43 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.43 0.692 . . . . 1.79 112.775 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -56.87 -44.46 82.25 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.927 0.491 . . . . 2.93 110.62 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -47.37 76.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.461 -0.79 . . . . 2.14 111.037 175.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.486 ' HH2' HG11 ' A' ' 785' ' ' VAL . 31.8 t-105 -63.19 -39.57 95.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.753 -0.658 . . . . 0.26 110.944 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.505 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 49.2 t30 -59.49 -40.69 87.81 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.984 -0.287 . . . . 2.0 110.319 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 80.2 t -60.18 -45.52 95.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.081 -0.509 . . . . 1.36 110.43 174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.632 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.13 -48.86 77.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.675 0.274 . . . . 0.19 111.117 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.505 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 9.2 mtmp? -58.84 -49.94 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.384 -0.371 . . . . 1.22 110.972 179.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.06 -44.2 91.79 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.024 -0.534 . . . . 2.22 110.289 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.435 ' HE1' ' HA ' ' A' ' 837' ' ' ALA . 36.2 ttp -52.51 -54.02 38.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.926 -0.579 . . . . 0.76 111.164 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 1.018 ' HA ' ' HG2' ' A' ' 846' ' ' GLU . 25.1 mt -58.94 -57.78 11.54 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.306 0.574 . . . . 0.62 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.25 84.97 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.554 -0.748 . . . . 0.61 112.628 -173.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -68.39 -52.04 37.43 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.975 -0.29 . . . . 2.92 111.482 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 75.6 m-80 -69.5 -58.23 4.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.178 -0.609 . . . . 1.53 111.453 -178.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 16.8 p30 158.73 -27.32 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.123 0.569 . . . . 1.9 110.783 176.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 1.018 ' HG2' ' HA ' ' A' ' 841' ' ' LEU . 3.6 pm0 -59.46 168.97 1.37 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.668 0.747 . . . . 2.97 112.819 -174.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 847' ' ' LYS . 0.4 OUTLIER -153.35 -28.19 0.14 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.112 -0.949 . . . . 2.4 110.15 178.408 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.482 ' HE2' HD21 ' A' ' 850' ' ' ASN . 5.4 t80 -57.19 127.82 33.86 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.13 -0.486 . . . . 0.54 110.576 -179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.7 tp -130.45 138.94 50.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 0.56 110.002 177.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.012 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.8 m-80 -128.92 146.61 50.9 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 108.59 -0.893 . . . . 0.96 108.59 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.491 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -126.29 124.79 66.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 N-CA-C 109.441 -0.577 . . . . 0.35 109.441 -177.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.501 ' NE ' ' HB3' ' A' ' 854' ' ' TYR . 75.7 ttt180 -102.93 129.97 49.84 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.329 -0.85 . . . . 2.38 110.479 -178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.636 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 10.0 mt -109.83 74.07 0.87 Allowed 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 108.468 -0.938 . . . . 1.56 108.468 166.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.501 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-N 114.386 -1.279 . . . . 1.77 112.184 -172.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.477 0.893 0 CA-C-O 120.727 0.298 . . . . 3.17 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -71.3 122.5 20.38 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 3.25 109.304 171.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.49 140.85 16.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.457 0.646 . . . . 0.75 109.907 -178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.607 ' HE2' HD13 ' A' ' 798' ' ' ILE . 20.5 t80 -127.67 145.89 50.74 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.52 108.818 -179.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.662 HG22 ' OD1' ' A' ' 850' ' ' ASN . 16.3 p -126.14 128.38 47.22 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.109 0.48 . . . . 1.39 109.717 -173.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 30.3 tp -149.55 147.61 28.38 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.993 -1.003 . . . . 0.83 109.629 -170.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 848' ' ' PHE . 8.3 tp -125.83 112.75 16.38 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.696 -0.853 . . . . 1.53 108.696 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.488 HG12 ' CZ3' ' A' ' 789' ' ' TRP . 30.6 m -64.83 112.39 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 1.1 109.953 -174.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -63.63 -35.88 81.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.059 -0.973 . . . . 3.06 110.222 -174.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.05 -165.66 0.92 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.919 -1.037 . . . . 1.8 108.232 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 91.1 t -59.2 119.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.244 0.545 . . . . 1.7 110.091 174.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.488 ' CZ3' HG12 ' A' ' 785' ' ' VAL . 14.2 m0 -110.96 122.04 46.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.511 -0.768 . . . . 0.5 109.821 -177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -80.29 41.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.891 0.377 . . . . 2.06 110.869 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 27.5 t80 69.42 -45.15 0.56 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.269 1.028 . . . . 0.47 111.97 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -61.73 -44.13 97.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.393 0.14 . . . . 1.86 110.664 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -59.91 -46.9 87.89 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.518 0.675 . . . . 1.36 109.957 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 798' ' ' ILE . 7.1 tp -59.46 -50.19 74.9 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.563 -1.198 . . . . 0.22 111.138 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.6 mm -66.45 -37.52 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.208 0.447 . . . . 0.51 112.208 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 70.7 mtm -61.25 -44.28 97.51 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.084 -0.339 . . . . 2.69 110.084 176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.25 99.71 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.803 -0.635 . . . . 0.27 110.28 175.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 794' ' ' LEU . 31.4 mm -56.4 -58.16 6.37 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.17 0 CA-C-N 115.903 -0.59 . . . . 0.67 110.881 176.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -59.09 -46.26 88.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.015 -0.539 . . . . 1.21 111.734 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.0 t -59.8 -52.01 67.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.172 -0.467 . . . . 1.29 110.741 -178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -68.44 -37.8 80.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.606 0.595 . . . . 1.95 112.606 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 798' ' ' ILE . 30.6 mm -58.11 -41.58 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.241 0.543 . . . . 1.56 109.926 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 8.5 t -73.01 -40.23 65.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.83 -0.623 . . . . 2.88 110.021 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -77.27 59.68 1.83 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.367 0.603 . . . . 5.02 111.553 -177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.2 t -176.59 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.747 -0.66 . . . . 5.49 109.258 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -84.96 -156.53 0.25 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.607 -0.724 . . . . 6.49 109.805 171.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -99.42 -54.68 2.88 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.813 0.339 . . . . 5.72 110.197 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.419 HD22 ' C ' ' A' ' 808' ' ' ASN . 0.1 OUTLIER -116.36 159.35 22.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 5.77 109.501 173.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -61.35 115.11 3.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 3.06 110.262 -176.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 46.2 mm -78.47 -41.36 25.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.035 -0.53 . . . . 3.44 110.414 -179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 18.4 m 68.91 148.9 0.12 Allowed Pre-proline 0 CA--C 1.533 0.31 0 O-C-N 123.784 0.677 . . . . 1.89 110.887 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 853' ' ' LEU . 74.1 Cg_endo -76.55 12.28 1.67 Allowed 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.214 1.943 . . . . 0.88 111.871 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.763 HG22 HG22 ' A' ' 814' ' ' THR . 49.1 mm 71.29 -53.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.022 -0.99 . . . . 1.67 110.39 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.763 HG22 HG22 ' A' ' 813' ' ' ILE . 2.5 t 176.78 -42.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 1.9 109.585 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.416 ' CA ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -87.06 144.95 26.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.881 -0.6 . . . . 2.52 111.711 -179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 852' ' ' ARG . 15.4 pt -146.27 153.34 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.427 -0.806 . . . . 1.06 109.858 176.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.3 mtpt -127.75 146.08 50.7 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.991 -1.115 . . . . 1.35 107.991 174.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.706 ' HD2' HD12 ' A' ' 828' ' ' LEU . 11.9 p90 -126.67 146.03 50.35 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.495 0.664 . . . . 0.3 110.473 -171.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.059 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 17.8 tt0 -127.8 143.94 51.11 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.324 -1.307 . . . . 1.08 109.503 -174.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -126.07 135.99 52.41 Favored 'General case' 0 C--O 1.247 0.963 0 O-C-N 123.406 0.441 . . . . 1.73 109.986 -175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.5 tp10 55.43 25.35 7.62 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.01 -1.45 . . . . 3.38 110.589 -173.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.456 ' HA ' HE21 ' A' ' 819' ' ' GLN . 19.6 t70 51.16 40.09 25.09 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.023 -0.99 . . . . 5.63 110.763 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -129.2 -40.12 0.29 Allowed Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.179 -1.01 . . . . 1.39 113.784 -173.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.55 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 2.2 m-20 -128.14 147.06 50.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.304 0.552 . . . . 1.47 111.674 -174.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.933 ' HD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.73 131.95 53.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.528 0.68 . . . . 1.16 110.369 -172.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.16 150.78 13.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 113.674 -1.603 . . . . 1.35 108.366 -169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.742 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.8 p -121.4 134.7 63.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.156 -0.965 . . . . 1.22 111.009 -166.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.706 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -139.37 159.41 42.21 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 113.986 -1.461 . . . . 1.03 110.572 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.14 45.24 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.53 -0.843 . . . . 1.2 112.529 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 34.0 t -144.37 -74.91 0.24 Allowed 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 120.786 -0.365 . . . . 1.93 110.578 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 27.4 t70 175.93 -52.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.154 -0.475 . . . . 1.79 109.895 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.496 ' O ' HG23 ' A' ' 836' ' ' VAL . 34.0 tt0 -58.64 -44.79 90.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 2.93 110.424 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.484 ' CG ' ' HB2' ' A' ' 828' ' ' LEU . 1.5 p30 -57.22 -47.82 80.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.477 -0.783 . . . . 2.14 111.611 176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.448 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 28.8 t-105 -66.18 -38.08 87.16 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 121.157 -0.217 . . . . 0.26 110.725 177.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -59.37 -42.24 91.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 110.34 -0.244 . . . . 2.0 110.34 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 832' ' ' GLU . 75.2 t -59.63 -45.52 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.93 -0.577 . . . . 1.36 110.413 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.29 -51.95 67.62 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.657 -0.247 . . . . 0.19 111.111 177.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.448 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 31.3 mtmm -58.39 -47.48 83.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.592 -0.276 . . . . 1.22 111.506 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.42 -41.96 98.71 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.639 -0.255 . . . . 2.22 110.691 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.0 tmm? -56.52 -52.57 64.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.261 -0.427 . . . . 0.76 110.683 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.42 -57.84 11.05 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.186 0.517 . . . . 0.62 111.334 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.18 81.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.61 112.23 -174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -68.58 -51.12 46.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.492 -0.322 . . . . 2.92 111.189 -176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.6 m120 -69.17 -58.28 4.26 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.853 -0.339 . . . . 1.53 111.588 -175.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.647 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 7.6 p30 158.08 -31.12 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 O-C-N 123.884 0.74 . . . . 1.9 109.715 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.42 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 31.4 mp0 -55.5 159.47 2.82 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.613 -0.721 . . . . 2.97 112.421 -174.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -153.13 -25.8 0.15 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.76 -0.654 . . . . 2.4 110.929 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.584 ' HA ' HD12 ' A' ' 784' ' ' LEU . 13.9 t80 -65.74 131.26 45.89 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 110.056 -0.35 . . . . 0.54 110.056 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.606 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 13.2 tp -128.64 145.01 51.27 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-O 121.603 0.716 . . . . 0.56 110.325 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.059 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.5 m-80 -128.49 145.09 51.21 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 107.884 -1.154 . . . . 0.96 107.884 177.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.6 OUTLIER -127.62 129.22 70.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.715 -0.394 . . . . 0.35 110.296 -172.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 55.5 ttt180 -106.99 124.43 49.61 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 116.119 -0.492 . . . . 2.38 110.424 175.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.591 ' N ' HD13 ' A' ' 853' ' ' LEU . 0.0 OUTLIER -119.75 138.1 53.53 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 108.618 -0.882 . . . . 1.56 108.618 170.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.577 ' HD2' ' HG2' ' A' ' 852' ' ' ARG . 35.9 p90 . . . . . 0 C--N 1.313 -1.004 0 CA-C-O 118.392 -0.814 . . . . 1.77 110.201 -167.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.795 0.331 . . . . 3.17 111.154 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 43.0 mt-10 -64.61 137.84 58.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.945 0.402 . . . . 3.25 110.235 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.671 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.3 tp -113.88 134.94 55.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 115.736 -0.665 . . . . 0.75 110.196 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HD2' HG13 ' A' ' 851' ' ' ILE . 27.6 t80 -128.68 146.84 50.76 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.76 -0.83 . . . . 0.52 108.76 -179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 98.5 m -126.1 127.17 45.37 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.384 0.611 . . . . 1.39 109.937 -176.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 22.6 tp -149.82 146.54 27.2 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.395 -1.275 . . . . 0.83 108.743 -172.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.404 HD21 ' HD2' ' A' ' 847' ' ' LYS . 4.8 tt -126.85 119.83 27.75 Favored 'General case' 0 C--N 1.314 -0.972 0 C-N-CA 119.953 -0.699 . . . . 1.53 109.649 -174.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -65.51 132.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.705 -1.134 . . . . 1.1 111.978 -170.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -86.86 -120.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.48 -0.782 . . . . 3.06 110.788 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.89 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -73.11 53.76 0.38 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.332 -0.849 . . . . 1.8 112.225 -178.499 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 21.4 t 56.05 74.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.366 0.603 . . . . 1.7 111.142 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.422 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 35.9 m0 -57.92 129.65 42.91 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.5 -0.773 . . . . 0.5 111.9 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -84.19 45.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.353 0.596 . . . . 2.06 110.531 176.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 15.8 t80 69.16 -53.23 0.59 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.938 0.895 . . . . 0.47 112.484 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -60.77 -40.88 94.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.838 0.351 . . . . 1.86 110.691 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.495 ' O ' ' HG3' ' A' ' 796' ' ' MET . 1.1 m-20 -65.16 -40.18 93.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.366 0.603 . . . . 1.36 110.41 176.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.433 ' O ' HG13 ' A' ' 798' ' ' ILE . 6.3 tp -64.02 -44.93 91.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.484 -0.78 . . . . 0.22 110.509 176.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.431 HD13 ' HA ' ' A' ' 795' ' ' ILE . 12.8 mm -60.07 -50.8 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.137 -0.483 . . . . 0.51 111.596 177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.495 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -64.07 -36.68 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.194 -0.202 . . . . 2.69 110.903 -177.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.45 -46.74 87.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.885 0.374 . . . . 0.27 110.288 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.438 HD13 HG21 ' A' ' 851' ' ' ILE . 85.7 mt -60.98 -46.21 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.8 -0.636 . . . . 0.67 110.524 175.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.653 HD21 ' HD3' ' A' ' 812' ' ' PRO . 3.7 m120 -62.5 -39.78 94.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.741 . . . . 1.21 112.062 -176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 3.0 p -69.21 -40.32 78.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.925 0.393 . . . . 1.29 110.552 177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -68.06 -57.48 6.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.224 -0.444 . . . . 1.95 112.022 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 63.1 mt -76.4 137.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 1.56 110.186 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.0 m 64.34 46.24 3.53 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.835 0.826 . . . . 2.88 109.722 -176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -56.53 -34.15 66.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.281 -1.327 . . . . 5.02 111.918 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -35.99 73.91 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.046 -0.525 . . . . 5.49 111.115 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -79.6 -136.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.644 . . . . 6.49 109.762 174.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -118.92 -61.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.216 -0.661 . . . . 5.72 109.216 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.466 ' HB3' ' HB3' ' A' ' 799' ' ' ASN . 27.7 m-80 -134.59 136.91 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.712 -0.676 . . . . 5.77 110.018 177.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -63.33 -38.31 90.67 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.38 -0.373 . . . . 3.06 110.512 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 50.9 mm 69.2 98.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-N 115.592 -0.731 . . . . 3.44 110.764 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 20.2 m 56.72 85.75 0.18 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.058 -0.973 . . . . 1.89 110.969 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.653 ' HD3' HD21 ' A' ' 799' ' ' ASN . 28.0 Cg_exo -60.41 111.1 0.92 Allowed 'Trans proline' 0 CA--C 1.512 -0.588 0 C-N-CA 122.587 2.191 . . . . 0.88 111.828 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.841 HG22 HG22 ' A' ' 814' ' ' THR . 48.3 mm 70.7 -67.55 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 114.796 -1.093 . . . . 1.67 109.394 -171.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.841 HG22 HG22 ' A' ' 813' ' ' ILE . 2.8 t 168.27 -46.95 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.275 -0.875 . . . . 1.9 109.755 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 814' ' ' THR . 24.5 mmmt -104.52 -44.05 5.0 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.11 -0.495 . . . . 2.52 110.42 -177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 815' ' ' LYS . 1.4 pt 71.3 149.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 O-C-N 124.963 1.415 . . . . 1.06 110.855 -173.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 1.002 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 18.2 ttmm -127.47 145.81 50.71 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 107.226 -1.398 . . . . 1.35 107.226 178.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.638 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.1 p90 -126.81 146.55 50.22 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.226 0.536 . . . . 0.3 110.323 -170.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.01 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 25.4 tt0 -127.55 146.16 50.61 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.531 -1.213 . . . . 1.08 108.758 -173.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.577 ' OD2' ' HB3' ' A' ' 824' ' ' ASP . 2.8 p30 -125.77 146.33 49.82 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 109.418 -0.586 . . . . 1.73 109.418 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.509 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.7 tp10 -38.72 -40.01 0.56 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 114.722 -1.126 . . . . 3.38 113.249 -170.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -57.17 -31.81 65.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.913 0.387 . . . . 5.63 111.392 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 113.81 47.95 0.6 Allowed Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.571 -0.612 . . . . 1.39 111.571 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.577 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 33.6 t70 -128.58 147.9 50.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.687 -0.256 . . . . 1.47 110.903 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -124.59 126.13 45.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.644 0.735 . . . . 1.16 109.951 -177.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 44.7 t -136.4 147.88 27.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 114.408 -1.269 . . . . 1.35 108.38 -177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 15.0 p -123.79 139.07 51.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.891 0 N-CA-C 108.73 -0.841 . . . . 1.22 108.73 -175.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.545 ' CB ' ' HB2' ' A' ' 833' ' ' ASP . 3.8 pp -128.0 156.62 42.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.559 -0.746 . . . . 1.03 111.97 -166.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.73 -33.37 0.04 OUTLIER Glycine 0 N--CA 1.442 -0.901 0 CA-C-N 114.951 -1.022 . . . . 1.2 111.365 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -83.89 12.89 5.45 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.648 0.24 . . . . 1.93 111.648 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 7.1 t70 70.69 -47.64 0.65 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.405 0.682 . . . . 1.79 111.705 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 836' ' ' VAL . 81.9 mt-10 -54.59 -36.87 64.88 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.898 0.479 . . . . 2.93 111.39 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.545 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.1 OUTLIER -57.31 -44.01 83.76 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.472 0.654 . . . . 2.14 110.037 179.14 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 27.4 t-105 -65.14 -39.75 93.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.495 -0.775 . . . . 0.26 110.86 178.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.481 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 48.6 t30 -58.8 -41.39 86.63 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.094 -0.336 . . . . 2.0 110.094 177.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 832' ' ' GLU . 95.6 t -58.83 -45.67 91.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.516 -0.765 . . . . 1.36 110.426 174.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.674 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.1 -49.03 78.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.153 -0.476 . . . . 0.19 111.458 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 50.4 mtmt -55.0 -49.57 71.17 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 120.726 0.298 . . . . 1.22 111.037 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.13 -39.97 96.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.665 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.574 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 36.2 ttp -55.92 -55.36 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.114 -0.494 . . . . 0.76 111.044 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 15.4 mt -55.57 -55.72 28.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.264 -0.425 . . . . 0.62 110.768 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.88 62.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.661 -0.7 . . . . 0.61 112.681 -176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.1 -44.81 75.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.509 0.195 . . . . 2.92 111.379 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.5 m120 -68.12 -57.63 5.77 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.889 -0.325 . . . . 1.53 110.612 -178.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.646 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 8.1 p30 140.88 -26.31 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.899 1.375 . . . . 1.9 108.433 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.475 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 78.9 mt-10 -78.16 88.45 4.25 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.419 -1.264 . . . . 2.97 110.977 -171.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.542 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 13.0 ttmm -81.69 -5.88 58.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.642 -0.708 . . . . 2.4 110.567 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.509 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.7 t80 -67.06 126.31 28.77 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.073 -0.512 . . . . 0.54 110.478 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 819' ' ' GLN . 29.3 tp -128.1 141.27 51.54 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.798 0.808 . . . . 0.56 110.521 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.01 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -129.02 147.01 50.85 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.075 -1.083 . . . . 0.96 108.075 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.523 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -125.9 125.33 68.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.293 0.568 . . . . 0.35 109.973 -173.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 1.002 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 7.3 tpt180 -90.47 132.66 35.53 Favored 'General case' 0 N--CA 1.429 -1.499 0 CA-C-N 114.85 -1.068 . . . . 2.38 111.138 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 779' ' ' GLU . 1.2 mm? -116.0 136.84 52.66 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 107.776 -1.194 . . . . 1.56 107.776 166.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.2 p90 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.211 -0.9 . . . . 1.77 110.307 -166.561 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.86 0.362 . . . . 3.17 111.12 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.07 135.42 41.21 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.274 -0.639 . . . . 3.25 109.274 174.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.0 tp -83.7 138.75 18.72 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 N-CA-C 109.468 -0.568 . . . . 0.75 109.468 179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.53 ' HD2' HG13 ' A' ' 851' ' ' ILE . 17.5 t80 -127.3 145.39 50.81 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 108.893 -0.78 . . . . 0.52 108.893 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.2 m -126.65 129.76 49.12 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.695 -0.483 . . . . 1.39 109.695 -174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.7 tp -149.33 145.07 26.83 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.871 -1.058 . . . . 0.83 109.114 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.695 HD21 ' HD2' ' A' ' 847' ' ' LYS . 7.0 tt -128.59 113.64 15.69 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 108.743 -0.836 . . . . 1.53 108.743 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.441 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 22.6 m -63.29 105.26 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 115.306 -0.861 . . . . 1.1 111.088 -169.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -70.29 -41.97 72.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.108 -0.951 . . . . 3.06 111.603 -171.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.634 ' HD2' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -140.04 50.09 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.961 0.41 . . . . 1.8 110.557 176.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.878 HG22 ' HD2' ' A' ' 838' ' ' LYS . 1.2 p 65.49 -41.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.565 1.546 . . . . 1.7 113.43 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.634 ' CD1' ' HD2' ' A' ' 787' ' ' LYS . 30.6 m0 66.79 126.66 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.47 0.652 . . . . 0.5 112.153 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 -84.49 42.44 0.9 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.917 -0.583 . . . . 2.06 110.641 174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 34.6 t80 72.28 -50.14 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.202 -0.908 . . . . 0.47 112.033 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -60.14 -42.58 95.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.944 0.402 . . . . 1.86 110.669 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.569 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 0.2 OUTLIER -67.99 -40.05 83.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.912 -0.586 . . . . 1.36 110.415 176.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.7 tp -61.45 -41.75 97.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.602 -0.726 . . . . 0.22 110.355 176.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.15 -51.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.342 -0.39 . . . . 0.51 111.849 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 793' ' ' ASP . 0.0 OUTLIER -62.32 -36.39 82.03 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.955 -0.298 . . . . 2.69 110.375 -179.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.247 -0.433 . . . . 0.27 110.335 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 794' ' ' LEU . 68.0 mt -60.69 -51.34 74.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.67 110.781 176.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -55.8 -50.74 69.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.576 -0.738 . . . . 1.21 111.759 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 19.5 m -65.25 -45.56 84.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.29 111.413 -177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -68.13 -43.5 78.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.457 0.54 . . . . 1.95 112.457 -177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.412 HG21 HD21 ' A' ' 808' ' ' ASN . 25.0 mt -61.71 -56.12 19.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 C-N-CA 120.876 -0.33 . . . . 1.56 110.619 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.422 ' CB ' HD21 ' A' ' 807' ' ' ASN . 67.8 m -165.17 128.06 2.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 2.88 110.671 176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.34 0.04 57.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.177 -0.465 . . . . 5.02 110.152 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 6.9 p -80.52 -104.98 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.593 -0.73 . . . . 5.49 110.948 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -158.7 123.02 4.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.03 0.443 . . . . 6.49 111.361 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.422 HD21 ' CB ' ' A' ' 803' ' ' SER . 3.4 p30 178.78 -49.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.371 -0.831 . . . . 5.72 109.676 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.594 ' HB2' ' HA ' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -161.63 41.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.498 0.666 . . . . 5.77 109.897 174.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -79.93 -23.52 41.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.271 -0.877 . . . . 3.06 110.605 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 29.0 mm -78.22 -51.54 17.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.326 -0.62 . . . . 3.44 109.326 176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.491 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 24.7 m -149.52 134.43 9.41 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.119 -0.946 . . . . 1.89 108.985 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.594 ' HA ' ' HB2' ' A' ' 808' ' ' ASN . 3.7 Cg_exo -75.36 58.44 5.12 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.828 2.352 . . . . 0.88 111.829 -177.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 813' ' ' ILE . 11.6 mm 66.63 0.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.281 -0.872 . . . . 1.67 111.223 -179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.442 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 30.8 p 53.96 25.75 5.69 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.324 0.65 . . . . 1.9 110.491 -174.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 814' ' ' THR . 3.4 tppt? -144.18 40.95 1.37 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.022 -0.535 . . . . 2.52 110.431 -172.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.568 ' CG2' ' HB2' ' A' ' 812' ' ' PRO . 33.4 pt -73.39 154.03 7.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.692 -0.685 . . . . 1.06 110.981 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 37.2 tttp -125.77 143.59 50.99 Favored 'General case' 0 C--N 1.312 -1.049 0 N-CA-C 106.605 -1.628 . . . . 1.35 106.605 177.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 6.8 p90 -126.49 145.29 50.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 121.693 0.759 . . . . 0.3 110.27 -169.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.98 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.67 147.7 50.76 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 113.863 -1.517 . . . . 1.08 109.689 -173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.451 ' HB2' ' HE1' ' A' ' 840' ' ' MET . 5.3 t70 -123.79 143.6 50.21 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.92 -0.771 . . . . 1.73 108.92 -175.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.3 tp10 -45.8 -35.76 4.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.531 -0.759 . . . . 3.38 112.485 -171.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.69 -39.87 68.56 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.133 0.492 . . . . 5.63 110.9 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 123.96 53.78 0.19 Allowed Glycine 0 N--CA 1.442 -0.917 0 CA-C-N 115.665 -0.698 . . . . 1.39 111.395 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.556 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 41.6 t0 -128.73 144.92 51.28 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.262 -0.175 . . . . 1.47 110.713 -176.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.586 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 5.7 m-85 -128.11 126.8 41.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.111 0.482 . . . . 1.16 110.304 176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 58.7 t -147.07 148.91 16.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.993 -1.114 . . . . 1.35 107.993 -176.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.49 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 12.3 p -123.35 137.38 56.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.722 -0.844 . . . . 1.22 108.722 -174.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.524 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.34 153.61 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.217 0.821 . . . . 1.03 113.217 -164.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 174.87 38.64 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 114.585 -1.188 . . . . 1.2 111.791 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 9.8 m -156.19 29.18 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.633 0.235 . . . . 1.93 111.633 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 65.45 -59.92 0.27 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.566 0.95 . . . . 1.79 113.566 174.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.401 ' HA ' ' HB2' ' A' ' 835' ' ' ASN . 13.2 tp10 -61.59 -32.6 72.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.909 0.385 . . . . 2.93 111.254 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.55 -42.51 95.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.184 -0.462 . . . . 2.14 111.033 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.538 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 27.4 t-105 -67.42 -38.27 84.33 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.486 -0.486 . . . . 0.26 109.843 172.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 3.5 m120 -57.33 -48.53 78.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 2.0 111.225 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 32.6 m -65.66 -36.14 76.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.974 -0.29 . . . . 1.36 110.831 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.52 -45.48 93.69 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 120.681 -0.407 . . . . 0.19 110.447 174.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.878 ' HD2' HG22 ' A' ' 788' ' ' VAL . 48.2 mtmt -59.47 -45.19 92.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.297 . . . . 1.22 110.331 176.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 96.8 mt-10 -58.42 -46.89 85.59 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.021 176.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.451 ' HE1' ' HB2' ' A' ' 820' ' ' ASP . 39.7 ttp -52.71 -51.29 61.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.55 -0.75 . . . . 0.76 110.606 178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 50.3 mt -60.17 -52.84 63.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.866 -0.606 . . . . 0.62 111.394 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.73 85.39 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.229 0.455 . . . . 0.61 112.229 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -68.19 -52.9 29.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.03 0.443 . . . . 2.92 111.165 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 67.6 m-80 -66.01 -34.81 78.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.914 -0.584 . . . . 1.53 110.83 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 98.0 -13.35 0.06 Allowed 'General case' 0 N--CA 1.479 0.982 0 O-C-N 124.77 1.294 . . . . 1.9 109.888 -176.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.22 141.07 49.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.962 -0.563 . . . . 2.97 109.577 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.695 ' HD2' HD21 ' A' ' 784' ' ' LEU . 20.3 ttmm -125.82 -13.03 6.47 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.029 0.442 . . . . 2.4 110.655 -170.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.599 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 2.5 t80 -66.23 124.83 23.73 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.497 -0.774 . . . . 0.54 110.286 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 819' ' ' GLN . 31.8 tp -128.51 140.85 51.6 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.785 -0.643 . . . . 0.56 109.407 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.98 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 68.1 m-80 -130.32 146.55 51.92 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.597 -0.89 . . . . 0.96 108.597 -179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.562 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.64 124.48 66.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 109.182 -0.673 . . . . 0.35 109.182 -175.185 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.654 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.3 ttt180 -99.91 116.37 31.81 Favored 'General case' 0 N--CA 1.433 -1.311 0 CA-C-N 115.773 -0.649 . . . . 2.38 109.97 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.73 57.26 2.49 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.661 -0.7 . . . . 1.56 109.89 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.392 -0.813 . . . . 1.77 111.114 -174.728 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.223 -0.288 . . . . 3.17 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 55.46 45.92 24.21 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 122.329 1.061 . . . . 3.25 108.483 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -177.67 133.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 112.871 -1.968 . . . . 0.75 109.239 -176.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.499 ' O ' ' HA ' ' A' ' 850' ' ' ASN . 12.0 t80 -150.15 146.71 27.05 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 107.746 -1.205 . . . . 0.52 107.746 -172.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.7 t -126.27 130.37 50.74 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.412 0.625 . . . . 1.39 110.497 -175.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.8 tp -150.08 147.08 27.36 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.346 -1.297 . . . . 0.83 108.903 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.5 tt -126.45 115.69 19.97 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.417 -0.586 . . . . 1.53 109.417 -174.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.644 HG11 ' HH2' ' A' ' 834' ' ' TRP . 16.5 m -71.94 135.91 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.126 -0.943 . . . . 1.1 110.981 -174.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -121.89 -78.83 0.6 Allowed 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.569 -0.453 . . . . 3.06 111.247 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.24 44.45 0.68 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.147 0.425 . . . . 1.8 112.147 -176.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.7 t 43.47 63.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 123.629 0.58 . . . . 1.7 111.309 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 34.2 m0 -51.16 131.29 27.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.115 -0.948 . . . . 0.5 112.333 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . 0.414 ' H ' HD22 ' A' ' 790' ' ' ASN . 0.1 OUTLIER -83.74 42.08 0.83 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.201 0.524 . . . . 2.06 110.718 176.169 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.511 ' HD1' HD23 ' A' ' 794' ' ' LEU . 16.1 t80 71.76 -47.67 0.66 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.019 0.928 . . . . 0.47 111.47 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 796' ' ' MET . 38.4 t70 -57.58 -45.29 85.42 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.769 0.319 . . . . 1.86 110.416 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.444 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 18.2 m-20 -61.51 -47.52 85.23 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 115.708 -0.678 . . . . 1.36 110.321 177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.5 tp -57.46 -48.92 77.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.711 -1.131 . . . . 0.22 110.703 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 795' ' ' ILE . 33.7 mm -64.08 -36.61 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 111.693 0.257 . . . . 0.51 111.693 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 90.5 mtp -58.09 -48.43 80.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.203 -0.295 . . . . 2.69 110.203 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.6 98.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 0.27 110.782 176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.69 HG12 ' O ' ' A' ' 794' ' ' LEU . 36.3 mm -54.26 -57.53 5.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.747 -0.661 . . . . 0.67 110.895 177.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.476 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 4.0 m120 -65.3 -43.54 90.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.424 -0.807 . . . . 1.21 112.218 -174.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . 0.622 ' O ' ' HB2' ' A' ' 804' ' ' ASN . 68.8 m -60.48 -44.98 95.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 1.29 111.131 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -68.91 -40.35 79.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.084 -0.385 . . . . 1.95 111.85 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 798' ' ' ILE . 78.8 mt -65.28 -47.26 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 N-CA-C 111.914 0.339 . . . . 1.56 111.914 -177.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.5 m -152.22 67.4 0.85 Allowed 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.447 0.536 . . . . 2.88 112.447 -176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.622 ' HB2' ' O ' ' A' ' 800' ' ' SER . 49.6 t30 -75.19 -38.09 60.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.961 0.41 . . . . 5.02 110.883 175.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 14.1 t -79.88 26.06 0.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.421 0.629 . . . . 5.49 111.264 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.407 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 86.5 m-70 -154.05 -148.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.113 -1.069 . . . . 6.49 108.113 175.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.407 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 61.8 m-80 -77.4 133.71 38.61 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.638 -1.245 . . . . 5.72 107.638 168.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 2.5 m120 -75.09 50.82 0.49 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 111.829 0.307 . . . . 5.77 111.829 -173.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.45 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 9.3 m120 66.08 -47.18 0.41 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.212 1.005 . . . . 3.06 113.309 175.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 49.9 mm 77.36 -53.42 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 123.563 0.745 . . . . 3.44 109.485 -172.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.465 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 36.7 p -159.4 135.42 6.22 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 114.969 -1.014 . . . . 1.89 108.599 173.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 11.3 Cg_exo -73.63 53.68 2.78 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 123.158 2.572 . . . . 0.88 111.62 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 813' ' ' ILE . 32.5 mm 60.72 24.29 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.788 0.804 . . . . 1.67 109.624 -177.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.483 ' O ' ' HE2' ' A' ' 815' ' ' LYS . 43.2 p 50.53 25.81 2.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.978 -1.01 . . . . 1.9 111.43 -175.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.483 ' HE2' ' O ' ' A' ' 814' ' ' THR . 0.0 OUTLIER -128.89 116.1 18.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.67 -0.696 . . . . 2.52 109.963 -176.401 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 827' ' ' VAL . 5.7 pt -149.62 143.27 17.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-O 121.597 0.713 . . . . 1.06 111.127 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.84 ' HG2' ' HB ' ' A' ' 827' ' ' VAL . 55.4 mtpt -127.43 146.52 50.45 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.892 -1.049 . . . . 1.35 108.661 175.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.65 ' HA ' ' O ' ' A' ' 850' ' ' ASN . 10.7 p90 -126.66 145.29 50.63 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.348 0.594 . . . . 0.3 110.326 -173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.983 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 14.0 tt0 -128.62 146.0 50.98 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.586 -1.188 . . . . 1.08 110.136 -172.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -124.9 138.79 54.23 Favored 'General case' 0 C--O 1.243 0.748 0 N-CA-C 109.914 -0.402 . . . . 1.73 109.914 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 53.78 24.89 4.71 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.376 -1.284 . . . . 3.38 112.042 -173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.517 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 23.6 t70 50.12 47.02 24.12 Favored 'General case' 0 N--CA 1.465 0.317 0 O-C-N 123.669 0.606 . . . . 5.63 110.941 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -145.57 -29.37 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 119.879 -1.153 . . . . 1.39 113.703 -173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 43.3 t0 -128.0 146.16 50.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.061 0.43 . . . . 1.47 110.213 -177.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.695 ' HD2' ' HE2' ' A' ' 817' ' ' LYS . 0.2 OUTLIER -125.25 132.96 52.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.543 0.687 . . . . 1.16 110.564 -176.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.4 p -150.08 149.17 14.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 113.696 -1.593 . . . . 1.35 108.464 -172.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.84 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 5.6 p -123.03 142.6 39.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 O-C-N 121.342 -0.849 . . . . 1.22 110.553 -168.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -128.65 157.91 40.0 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 115.201 -0.908 . . . . 1.03 110.541 -171.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -175.31 -27.21 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.613 -0.804 . . . . 1.2 112.692 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 62.2 m -87.79 20.4 3.05 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 122.564 -0.374 . . . . 1.93 111.336 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 21.8 t70 69.76 -53.2 0.62 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.669 0.788 . . . . 1.79 112.675 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.45 ' O ' HG23 ' A' ' 836' ' ' VAL . 48.7 tp10 -53.6 -37.95 63.5 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.924 0.392 . . . . 2.93 111.235 -177.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.558 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 0.2 OUTLIER -52.98 -40.9 64.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.491 -0.777 . . . . 2.14 110.78 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.644 ' HH2' HG11 ' A' ' 785' ' ' VAL . 29.1 t-105 -64.53 -44.39 91.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.813 -0.63 . . . . 0.26 111.212 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.473 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 36.9 t30 -61.59 -36.65 81.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.697 -0.483 . . . . 2.0 109.697 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 832' ' ' GLU . 57.3 t -60.03 -46.86 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.818 -0.628 . . . . 1.36 110.567 174.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.564 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.82 -46.84 88.97 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.669 -0.241 . . . . 0.19 110.978 178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.499 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 48.6 mtmt -56.66 -50.66 71.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.58 0.229 . . . . 1.22 111.091 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.33 -40.11 93.04 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.054 -0.521 . . . . 2.22 110.173 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.447 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 40.3 ttp -54.39 -56.79 15.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.705 -0.68 . . . . 0.76 110.551 176.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 13.0 mt -61.31 -58.17 9.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.831 -0.622 . . . . 0.62 111.593 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.59 82.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.491 -0.777 . . . . 0.61 112.503 -173.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -68.73 -53.24 23.17 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.907 -0.317 . . . . 2.92 111.522 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.604 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 73.5 m-20 -69.47 -58.31 4.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.359 -0.536 . . . . 1.53 112.344 -174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.604 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 3.8 p30 164.99 -29.81 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.287 0.367 . . . . 1.9 110.927 179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.482 ' OE1' ' HB2' ' A' ' 844' ' ' ASN . 45.8 mp0 -60.23 168.82 1.83 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.736 -0.665 . . . . 2.97 112.301 -171.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -162.78 -31.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.615 -0.721 . . . . 2.4 110.37 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -65.35 124.83 23.28 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 116.146 -0.479 . . . . 0.54 110.018 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.0 tp -128.55 143.79 51.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.317 0.58 . . . . 0.56 110.334 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.983 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 69.4 m-80 -128.96 145.4 51.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.635 -0.711 . . . . 0.96 109.142 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.75 130.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 110.003 -0.369 . . . . 0.35 110.003 -171.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.603 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 58.4 ttt180 -107.45 132.78 52.82 Favored 'General case' 0 N--CA 1.441 -0.881 0 C-N-CA 120.41 -0.516 . . . . 2.38 111.127 175.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -100.79 140.74 34.65 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.481 -1.303 . . . . 1.56 107.481 169.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 22.7 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.46 -0.781 . . . . 1.77 110.605 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 47.9 m . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.756 0.312 . . . . 3.17 111.092 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 853' ' ' LEU . 39.6 mt-10 -62.99 127.97 33.68 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.158 -0.682 . . . . 3.25 109.158 174.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -106.8 130.62 58.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.509 0.671 . . . . 0.75 110.253 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.694 ' HD2' HG13 ' A' ' 851' ' ' ILE . 21.9 t80 -128.65 146.42 50.87 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.012 -0.994 . . . . 0.52 108.878 -177.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 65.2 m -126.79 126.3 43.16 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.179 0.514 . . . . 1.39 109.967 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.429 ' C ' HD12 ' A' ' 784' ' ' LEU . 33.9 tp -150.21 145.84 26.48 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.563 -1.199 . . . . 0.83 109.213 -170.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.801 HD23 ' HE3' ' A' ' 847' ' ' LYS . 8.0 mp -128.16 129.52 46.65 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.232 -0.655 . . . . 1.53 109.232 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.495 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.0 m -63.93 122.0 13.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.627 -0.715 . . . . 1.1 111.355 -171.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.02 -45.87 12.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.727 -1.124 . . . . 3.06 111.606 -171.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -140.64 53.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.983 0.42 . . . . 1.8 110.476 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 78.5 t 72.1 -52.27 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 115.393 -0.821 . . . . 1.7 111.631 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.468 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 49.8 m0 68.66 115.21 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.67 0.606 . . . . 0.5 111.879 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -80.28 41.14 0.52 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.763 -0.653 . . . . 2.06 111.359 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.471 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.6 t80 70.73 -48.59 0.66 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.86 0.864 . . . . 0.47 111.29 -179.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.586 ' O ' ' HG3' ' A' ' 796' ' ' MET . 50.3 m-20 -61.45 -43.93 98.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.725 -0.216 . . . . 1.86 110.489 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.43 -46.49 89.83 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.317 0.58 . . . . 1.36 110.697 175.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 798' ' ' ILE . 4.2 tp -59.02 -48.08 82.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.855 -1.066 . . . . 0.22 110.669 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.432 ' HA ' ' HB ' ' A' ' 798' ' ' ILE . 21.7 mm -66.56 -36.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 111.813 0.301 . . . . 0.51 111.813 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 792' ' ' ASP . 91.7 mtp -57.78 -45.51 85.9 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.944 -0.391 . . . . 2.69 109.944 176.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.29 94.38 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.749 -0.659 . . . . 0.27 110.337 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.675 HG23 HD12 ' A' ' 802' ' ' ILE . 20.4 mm -53.93 -53.93 23.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.458 -0.792 . . . . 0.67 111.225 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.533 ' ND2' HD22 ' A' ' 809' ' ' ASN . 2.4 m120 -63.95 -44.92 91.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.581 . . . . 1.21 111.446 -176.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 38.5 t -64.31 -52.75 56.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.278 -0.419 . . . . 1.29 111.135 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.97 -48.73 62.42 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.43 0.53 . . . . 1.95 112.43 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.702 HD13 HD21 ' A' ' 853' ' ' LEU . 75.6 mt -68.79 -59.84 3.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.69 0.281 . . . . 1.56 111.039 -177.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.1 m -82.2 42.62 0.75 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.209 0.528 . . . . 2.88 110.676 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -59.78 -31.16 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.224 -0.898 . . . . 5.02 110.371 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 4.9 p -69.95 -44.38 69.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.155 -0.93 . . . . 5.49 111.15 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 807' ' ' ASN . 31.5 m170 -76.88 -40.83 46.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.736 -0.665 . . . . 6.49 111.131 -177.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 806' ' ' HIS . 75.3 m-80 74.49 26.04 1.55 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.532 0.682 . . . . 5.72 110.311 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 178.08 140.1 0.09 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.102 -1.408 . . . . 5.77 108.04 174.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.533 HD22 ' ND2' ' A' ' 799' ' ' ASN . 51.8 t30 -145.11 -42.07 0.23 Allowed 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.333 -0.547 . . . . 3.06 111.439 -172.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 46.7 mm 75.57 -49.3 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 123.433 0.693 . . . . 3.44 111.608 -179.25 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.47 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 67.4 p -162.07 132.41 3.51 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.176 -0.466 . . . . 1.89 110.084 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.614 ' O ' HG22 ' A' ' 813' ' ' ILE . 2.6 Cg_endo -82.21 55.2 5.3 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.754 2.97 . . . . 0.88 111.273 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.807 HG23 ' HG2' ' A' ' 815' ' ' LYS . 3.0 tp 66.57 -1.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.301 1.04 . . . . 1.67 112.34 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 43.8 p 64.3 -15.18 0.08 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.859 1.264 . . . . 1.9 113.019 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.807 ' HG2' HG23 ' A' ' 813' ' ' ILE . 1.4 mmpt? -84.51 45.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.69 -0.485 . . . . 2.52 109.69 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 828' ' ' LEU . 38.6 pt -76.86 148.6 6.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.671 0.748 . . . . 1.06 110.897 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.855 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 31.9 ttmt -127.35 141.77 51.61 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 107.859 -1.163 . . . . 1.35 107.859 178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.701 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.9 p90 -127.99 146.24 50.72 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-O 121.185 0.516 . . . . 0.3 109.949 -172.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.75 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -128.03 145.85 50.86 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 114.943 -1.026 . . . . 1.08 110.66 -172.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.588 ' HB2' ' HE3' ' A' ' 840' ' ' MET . 19.7 t0 -125.75 140.71 52.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.874 -0.603 . . . . 1.73 109.672 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 821' ' ' GLU . 23.9 tt0 61.06 12.39 3.96 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.235 -0.893 . . . . 3.38 111.228 -177.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.404 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.0 t70 56.75 52.54 9.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 5.63 109.989 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -165.1 -17.5 0.02 OUTLIER Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.156 -1.021 . . . . 1.39 114.617 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.498 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 22.3 t70 -127.54 145.97 50.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.559 0.679 . . . . 1.47 109.981 -178.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -125.69 133.07 52.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.493 0.664 . . . . 1.16 111.426 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.682 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 32.4 t -138.56 148.81 24.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 114.831 -1.077 . . . . 1.35 108.838 -179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.806 HG22 ' HG3' ' A' ' 817' ' ' LYS . 45.7 t -122.68 129.82 74.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 108.83 -0.804 . . . . 1.22 108.83 -175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.701 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.5 pp -130.77 148.13 52.51 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.565 -0.743 . . . . 1.03 111.36 -172.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -139.44 -42.02 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.487 -1.445 . . . . 1.2 109.487 174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 44.5 t -82.56 141.04 32.91 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.787 -0.82 . . . . 1.93 108.787 169.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -63.77 -9.99 17.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.212 0.449 . . . . 1.79 112.212 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -62.23 -47.37 84.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 2.93 111.172 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.17 -36.81 83.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.204 0.526 . . . . 2.14 109.828 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.495 ' HH2' HG11 ' A' ' 785' ' ' VAL . 36.0 t-105 -64.77 -40.15 94.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.734 -0.666 . . . . 0.26 110.429 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 21.6 t30 -58.37 -43.91 88.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.628 -0.508 . . . . 2.0 109.628 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 67.9 t -57.48 -44.88 85.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.211 -0.904 . . . . 1.36 110.69 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.55 -43.11 99.46 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.354 -0.384 . . . . 0.19 111.625 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -58.52 -49.06 78.75 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.799 0.333 . . . . 1.22 110.237 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 45.4 mt-10 -61.44 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.865 -0.607 . . . . 2.22 110.171 177.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.588 ' HE3' ' HB2' ' A' ' 820' ' ' ASP . 50.8 ttp -57.24 -53.48 57.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.504 -0.771 . . . . 0.76 111.273 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.992 ' HG ' ' HA ' ' A' ' 847' ' ' LYS . 3.5 mp -59.34 -50.52 73.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.204 -0.453 . . . . 0.62 111.552 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.05 -50.33 64.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.207 -0.451 . . . . 0.61 111.931 -176.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -66.73 -50.83 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 2.92 111.173 -176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 69.4 m-80 -67.95 -35.66 78.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.142 -0.481 . . . . 1.53 111.454 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.59 -3.83 0.15 Allowed 'General case' 0 N--CA 1.483 1.207 0 O-C-N 124.666 1.229 . . . . 1.9 111.223 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 848' ' ' PHE . 3.0 mm-40 -60.55 -57.22 13.66 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.872 -0.331 . . . . 2.97 110.674 -175.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.992 ' HA ' ' HG ' ' A' ' 841' ' ' LEU . 37.9 ttpt 67.93 -24.23 0.12 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.182 0.808 . . . . 2.4 113.182 172.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.422 ' H ' ' C ' ' A' ' 846' ' ' GLU . 5.4 t80 -62.71 124.78 21.89 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.312 -0.625 . . . . 0.54 109.312 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.541 ' HA ' ' O ' ' A' ' 819' ' ' GLN . 0.4 OUTLIER -127.8 138.32 52.69 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.619 0.724 . . . . 0.56 109.624 -177.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.75 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 61.8 m-80 -128.06 145.64 50.93 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.02 -1.104 . . . . 0.96 108.02 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.694 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.59 124.38 65.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 109.292 -0.633 . . . . 0.35 109.292 -170.78 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.855 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 60.0 ttt180 -110.23 123.46 49.83 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 115.927 -0.579 . . . . 2.38 111.222 -176.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 802' ' ' ILE . 2.2 mm? -101.05 122.99 44.53 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.407 -1.331 . . . . 1.56 107.407 169.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.447 -0.787 . . . . 1.77 110.486 -172.81 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.002 0.429 . . . . 3.17 110.693 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -69.29 121.35 16.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.496 . . . . 3.25 110.071 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -74.3 137.54 22.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.529 0.68 . . . . 0.75 110.068 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.572 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -127.64 144.32 51.08 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 108.243 -1.021 . . . . 0.52 108.243 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 12.4 t -126.85 131.98 51.08 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.253 -0.647 . . . . 1.39 109.253 -175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.425 ' C ' HD12 ' A' ' 784' ' ' LEU . 15.2 tp -150.1 146.42 26.91 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.607 -1.178 . . . . 0.83 109.397 -166.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 783' ' ' LEU . 9.1 mp -126.49 119.58 27.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.418 -0.586 . . . . 1.53 109.418 -178.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.569 HG11 ' HH2' ' A' ' 834' ' ' TRP . 27.5 m -70.37 61.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 114.615 -1.175 . . . . 1.1 113.545 -168.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 787' ' ' LYS . 68.4 mm-40 -60.27 146.28 44.42 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.309 -0.859 . . . . 3.06 110.871 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 786' ' ' GLU . 34.2 pttt 62.05 2.4 0.79 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.166 0.986 . . . . 1.8 112.846 176.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 60.2 t 60.55 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.612 0.72 . . . . 1.7 111.423 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 793' ' ' ASP . 15.8 m0 -70.38 135.1 48.49 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.259 -0.882 . . . . 0.5 111.344 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 40.5 t30 -68.44 -43.07 77.89 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.355 -0.538 . . . . 2.06 110.523 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 170.05 -49.56 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.479 -1.237 . . . . 0.47 110.056 172.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -62.06 -36.29 81.2 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.764 -0.458 . . . . 1.86 109.764 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.536 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.5 OUTLIER -61.11 -42.22 98.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.303 0.573 . . . . 1.36 110.19 176.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.501 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 0.9 OUTLIER -65.89 -44.28 85.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.389 -0.823 . . . . 0.22 110.04 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 40.8 mm -59.74 -42.72 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.51 110.767 176.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 0.3 OUTLIER -61.04 -42.93 99.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.531 -0.304 . . . . 2.69 111.431 177.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.88 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.058 0.456 . . . . 0.27 110.241 177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 80.4 mt -61.8 -50.74 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.513 -0.767 . . . . 0.67 110.755 175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.59 -42.54 92.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.836 -0.62 . . . . 1.21 111.686 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 10.2 p -68.36 -49.51 59.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.412 -0.358 . . . . 1.29 111.053 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -69.49 -53.78 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.087 0.402 . . . . 1.95 112.087 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 29.7 mt -71.16 119.08 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 1.56 110.267 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 66.5 m -158.06 36.79 0.25 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.147 0.498 . . . . 2.88 110.035 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -59.51 -35.02 73.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.501 -0.772 . . . . 5.02 109.849 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 20.1 m -81.28 135.91 35.75 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.103 -0.953 . . . . 5.49 110.049 176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 23.2 p80 -72.97 50.76 0.27 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 6.49 111.997 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -154.08 35.43 0.43 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.564 -0.902 . . . . 5.72 108.564 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.6 m120 55.55 -117.23 1.11 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.882 -1.053 . . . . 5.77 109.407 -174.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -170.91 121.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.391 . . . . 3.06 110.585 173.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.7 mp -97.35 -42.55 11.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.666 0.746 . . . . 3.44 109.397 178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.459 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 68.9 m -143.51 137.11 14.24 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.276 -0.874 . . . . 1.89 109.782 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.8 Cg_exo -76.17 66.55 7.0 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.597 2.865 . . . . 0.88 111.413 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 814' ' ' THR . 46.9 mm 71.47 -82.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.127 -0.942 . . . . 1.67 109.364 -172.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 813' ' ' ILE . 0.7 OUTLIER 160.0 -47.48 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.431 1.492 . . . . 1.9 109.049 171.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.568 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 0.8 OUTLIER -78.88 60.17 2.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.59 -0.732 . . . . 2.52 110.492 174.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.509 HD11 HD11 ' A' ' 828' ' ' LEU . 26.1 pt -65.17 144.52 14.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.517 0.675 . . . . 1.06 110.711 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.888 ' HE3' ' HB3' ' A' ' 825' ' ' PHE . 40.3 tttp -126.45 137.74 53.44 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 107.222 -1.399 . . . . 1.35 107.222 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.777 ' CD2' HD23 ' A' ' 828' ' ' LEU . 4.1 p90 -126.55 145.65 50.44 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.298 0.57 . . . . 0.3 110.301 -171.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.032 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 38.0 tt0 -128.84 142.61 50.91 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 113.893 -1.503 . . . . 1.08 109.426 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -126.55 137.94 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.022 0.439 . . . . 1.73 111.449 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.533 ' HB2' ' HG2' ' A' ' 846' ' ' GLU . 16.3 tp10 45.47 37.42 3.04 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 113.837 -1.529 . . . . 3.38 111.447 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.926 ' HA ' HE21 ' A' ' 819' ' ' GLN . 33.2 t0 50.54 52.26 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.173 -0.921 . . . . 5.63 111.61 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -154.95 -38.06 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 119.324 -1.417 . . . . 1.39 115.068 -174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 27.5 t70 -127.88 148.54 50.48 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.788 0.794 . . . . 1.47 111.69 -171.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.888 ' HB3' ' HE3' ' A' ' 817' ' ' LYS . 13.7 m-85 -124.09 136.5 54.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.57 0.7 . . . . 1.16 111.218 -172.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.514 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 42.6 t -145.6 149.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.368 -1.287 . . . . 1.35 108.93 -175.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.574 HG22 ' HG3' ' A' ' 817' ' ' LYS . 79.6 t -122.76 128.86 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.957 -0.757 . . . . 1.22 108.957 -176.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.777 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.4 pp -128.63 150.51 50.2 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.706 -0.679 . . . . 1.03 111.033 -171.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -160.21 35.12 0.44 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 109.521 -1.432 . . . . 1.2 109.521 174.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.1 m -160.33 141.64 12.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 113.87 -1.165 . . . . 1.93 107.918 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -51.27 -40.3 58.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.989 -0.55 . . . . 1.79 112.348 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.64 -45.1 95.36 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.472 0.545 . . . . 2.93 112.472 -173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.411 ' HB3' ' HB2' ' A' ' 828' ' ' LEU . 12.7 t0 -63.64 -37.81 88.75 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.185 0.517 . . . . 2.14 110.355 -177.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.569 ' HH2' HG11 ' A' ' 785' ' ' VAL . 26.5 t-105 -67.54 -43.26 81.17 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.96 -0.563 . . . . 0.26 109.807 173.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -57.86 -46.93 84.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.577 -0.738 . . . . 2.0 111.113 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 24.1 m -66.06 -36.24 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 121.164 -0.214 . . . . 1.36 110.694 176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.27 -46.38 88.68 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 110.414 -0.217 . . . . 0.19 110.414 176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 23.2 mtmm -58.76 -46.88 86.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 C-N-CA 121.032 -0.267 . . . . 1.22 110.506 177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -57.59 -43.83 84.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.966 -0.561 . . . . 2.22 110.094 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -55.41 -52.4 63.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.557 -0.747 . . . . 0.76 110.731 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 24.3 mt -61.23 -57.79 10.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.023 0.44 . . . . 0.62 111.465 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.73 -48.38 80.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.758 0.651 . . . . 0.61 112.758 -174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.25 -46.72 69.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.647 -0.251 . . . . 2.92 111.558 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 62.3 m-80 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.569 -0.452 . . . . 1.53 111.677 -177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.561 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 14.3 p30 156.4 -27.69 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 108.758 -0.83 . . . . 1.9 108.758 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.533 ' HG2' ' HB2' ' A' ' 821' ' ' GLU . 7.8 mt-10 -63.68 157.78 23.21 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 113.752 -1.567 . . . . 2.97 113.0 -171.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -147.9 -28.81 0.33 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.559 -0.746 . . . . 2.4 110.065 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.524 ' HE2' HD21 ' A' ' 850' ' ' ASN . 9.1 t80 -55.89 124.04 16.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.131 -0.486 . . . . 0.54 110.017 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 819' ' ' GLN . 33.4 tp -129.23 139.69 51.75 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.282 -0.636 . . . . 0.56 109.282 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.032 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 76.4 m-20 -128.77 146.7 50.83 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 108.521 -0.918 . . . . 0.96 108.521 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.572 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.7 OUTLIER -126.1 124.22 65.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 N-CA-C 108.97 -0.752 . . . . 0.35 108.97 -175.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.704 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 69.4 ttt180 -103.35 115.48 30.62 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 115.835 -0.62 . . . . 2.38 109.716 177.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.0 mm? -95.62 61.68 2.29 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.938 -0.764 . . . . 1.56 108.938 178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 53.1 p90 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.276 -0.869 . . . . 1.77 111.137 -172.557 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.518 ' HA ' ' O ' ' A' ' 853' ' ' LEU . 52.3 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.278 0.561 . . . . 3.17 110.569 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -162.53 131.12 4.07 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.146 -0.933 . . . . 3.25 109.248 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.477 HD12 ' HB3' ' A' ' 850' ' ' ASN . 2.4 mm -81.04 138.42 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 CA-C-O 121.681 0.753 . . . . 0.75 110.47 179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.469 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.7 t80 -126.87 145.45 50.65 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 106.415 -1.698 . . . . 0.52 106.415 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 24.4 m -125.87 131.15 52.43 Favored 'General case' 0 C--N 1.311 -1.083 0 C-N-CA 119.794 -0.762 . . . . 1.39 110.446 -168.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.414 HD22 HG12 ' A' ' 798' ' ' ILE . 44.2 tp -150.42 146.87 26.94 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.486 -1.234 . . . . 0.83 109.502 -171.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.39 120.26 29.37 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.171 -0.677 . . . . 1.53 109.171 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.625 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.0 t -65.75 101.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.616 -1.175 . . . . 1.1 111.157 -170.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.1 -46.75 64.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.841 -1.072 . . . . 3.06 112.507 -170.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 20.8 pttp -141.51 49.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.592 -0.443 . . . . 1.8 111.592 -173.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.671 HG13 ' HD2' ' A' ' 838' ' ' LYS . 53.8 t 70.04 -55.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 116.057 -0.519 . . . . 1.7 111.996 177.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.625 ' CE3' HG13 ' A' ' 785' ' ' VAL . 43.9 m0 71.09 137.0 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.568 0.699 . . . . 0.5 112.128 176.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -91.16 36.13 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.941 -0.572 . . . . 2.06 109.847 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.603 ' HD1' HD23 ' A' ' 794' ' ' LEU . 17.5 t80 71.18 -47.09 0.65 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.751 0.82 . . . . 0.47 111.095 -176.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 796' ' ' MET . 44.3 m-20 -60.12 -41.09 91.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.33 . . . . 1.86 110.337 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.454 ' HB2' ' CB ' ' A' ' 789' ' ' TRP . 2.5 m-20 -63.75 -43.4 96.54 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.487 0.661 . . . . 1.36 109.848 177.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.603 HD23 ' HD1' ' A' ' 791' ' ' PHE . 7.3 tp -61.11 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.22 110.165 178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.608 HG23 ' HD3' ' A' ' 812' ' ' PRO . 23.3 mm -57.25 -48.01 83.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.823 -0.626 . . . . 0.51 111.01 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 23.0 mmt -64.03 -43.18 96.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 2.69 111.213 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.19 82.84 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 116.578 -0.283 . . . . 0.27 110.393 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.595 ' O ' HG13 ' A' ' 802' ' ' ILE . 76.5 mt -59.93 -51.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.67 110.469 177.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.45 ' ND2' ' HA ' ' A' ' 809' ' ' ASN . 0.1 OUTLIER -56.0 -51.33 68.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.058 -0.519 . . . . 1.21 112.101 -176.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.9 t -63.48 -44.71 93.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.059 0.457 . . . . 1.29 110.396 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -68.16 -37.03 80.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.859 -0.61 . . . . 1.95 111.715 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.595 HG13 ' O ' ' A' ' 798' ' ' ILE . 31.7 mt -56.54 -47.96 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-O 120.586 0.232 . . . . 1.56 110.406 179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 6.7 t -174.3 122.26 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.072 -0.513 . . . . 2.88 109.812 177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -77.7 52.62 1.02 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.356 0.598 . . . . 5.02 109.755 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 14.3 t -97.86 -30.25 12.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.401 -0.818 . . . . 5.49 111.271 -172.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 26.1 m170 68.75 57.4 0.42 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.498 0.555 . . . . 6.49 112.498 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -154.43 -56.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.982 -0.553 . . . . 5.72 109.977 172.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' ' 808' ' ' ASN . 2.1 m120 -88.27 39.14 0.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.708 -0.479 . . . . 5.77 109.708 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.45 ' HA ' ' ND2' ' A' ' 799' ' ' ASN . 5.4 m120 -123.42 31.64 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 3.06 110.643 -176.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 42.5 mm -84.97 -47.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 108.213 -1.032 . . . . 3.44 108.213 173.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 3.4 t -152.07 135.51 9.49 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 113.813 -1.54 . . . . 1.89 107.257 171.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.608 ' HD3' HG23 ' A' ' 795' ' ' ILE . 9.7 Cg_exo -73.94 43.89 0.89 Allowed 'Trans proline' 0 CA--C 1.52 -0.217 0 C-N-CA 122.827 2.351 . . . . 0.88 112.49 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.445 ' O ' HG23 ' A' ' 816' ' ' ILE . 50.3 mm 68.59 108.42 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 O-C-N 123.974 0.796 . . . . 1.67 109.574 -175.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 50.3 p -64.47 -17.49 63.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.244 -0.434 . . . . 1.9 111.553 -174.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.31 46.86 1.08 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.024 -0.535 . . . . 2.52 110.187 171.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 813' ' ' ILE . 1.4 pt -87.36 153.38 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.452 0.644 . . . . 1.06 110.311 177.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 57.1 mttt -127.53 147.0 50.33 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.898 -1.046 . . . . 1.35 108.807 176.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.633 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 2.8 p90 -125.29 143.52 50.92 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.604 0.716 . . . . 0.3 109.486 -176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.004 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 41.5 tt0 -128.54 147.31 50.69 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 113.547 -1.661 . . . . 1.08 109.081 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -124.46 145.77 49.32 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 108.843 -0.799 . . . . 1.73 108.843 -175.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 44.2 tt0 -42.09 -34.71 0.77 Allowed 'General case' 0 N--CA 1.468 0.452 0 O-C-N 124.103 0.877 . . . . 3.38 112.505 -172.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -54.72 -35.42 63.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.24 0.543 . . . . 5.63 110.997 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 111.46 54.31 0.51 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.625 -0.99 . . . . 1.39 110.625 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.593 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 29.2 t70 -128.11 145.71 50.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.643 -0.278 . . . . 1.47 110.478 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.462 ' HE1' ' HB2' ' A' ' 852' ' ' ARG . 2.7 m-85 -126.4 129.96 49.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.248 0.547 . . . . 1.16 110.504 -177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.633 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 52.6 t -145.27 148.65 17.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 114.928 -1.033 . . . . 1.35 108.613 -177.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.484 ' HB ' ' HG2' ' A' ' 817' ' ' LYS . 8.2 p -123.22 127.87 74.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 108.678 -0.86 . . . . 1.22 108.678 -176.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.554 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.8 pp -128.6 164.12 23.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.008 -0.996 . . . . 1.03 112.277 -166.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 175.39 39.53 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.217 -0.901 . . . . 1.2 112.325 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 33.9 t -143.71 -84.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.966 -0.294 . . . . 1.93 110.947 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 26.5 t0 179.9 -49.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.733 -0.469 . . . . 1.79 109.733 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.19 -37.47 77.47 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.685 -0.689 . . . . 2.93 111.338 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 836' ' ' VAL . 1.3 p30 -61.21 -46.16 91.58 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.441 -0.799 . . . . 2.14 110.686 176.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.614 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.1 t-105 -65.54 -41.07 93.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.828 -0.623 . . . . 0.26 110.244 174.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.467 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 26.5 t-20 -56.39 -48.06 77.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.301 -0.408 . . . . 2.0 111.139 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 833' ' ' ASP . 32.8 m -65.08 -36.89 78.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 120.677 -0.409 . . . . 1.36 111.002 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.6 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -46.18 90.69 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.768 -0.373 . . . . 0.19 110.48 174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.671 ' HD2' HG13 ' A' ' 788' ' ' VAL . 51.4 mtmt -59.57 -45.96 90.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 1.22 111.069 179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -57.83 -47.32 83.0 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.898 -0.408 . . . . 2.22 109.898 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.4 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 39.3 ttp -51.15 -57.27 9.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.813 -0.63 . . . . 0.76 111.188 177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.01 -57.38 13.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 0.62 111.839 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.63 78.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.711 0.634 . . . . 0.61 112.711 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -67.96 -48.87 64.65 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.074 -0.25 . . . . 2.92 110.721 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.696 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 2.9 m120 -69.1 -58.24 4.34 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.461 -0.496 . . . . 1.53 111.03 -177.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.696 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 2.9 p30 153.12 -29.74 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.907 0.883 . . . . 1.9 109.989 175.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -66.5 163.63 18.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.469 0.652 . . . . 2.97 112.416 -170.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.571 ' HE3' ' O ' ' A' ' 785' ' ' VAL . 75.8 tttt -146.59 -11.88 0.46 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.275 -0.875 . . . . 2.4 110.55 -175.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.463 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 6.5 t80 -67.31 123.89 21.6 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 110.052 -0.351 . . . . 0.54 110.052 178.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 819' ' ' GLN . 20.4 tp -129.61 139.95 51.31 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.565 -0.743 . . . . 0.56 109.57 178.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.004 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.5 m-80 -128.36 146.36 50.8 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.384 -0.969 . . . . 0.96 108.384 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.616 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -126.59 124.12 64.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 109.41 -0.589 . . . . 0.35 109.41 -174.379 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.693 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -99.17 119.49 37.95 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 120.75 -0.38 . . . . 2.38 110.915 -179.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 778' ' ' SER . 2.6 mm? -93.21 140.67 29.28 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 107.082 -1.451 . . . . 1.56 107.082 167.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.542 ' HD2' ' HD3' ' A' ' 852' ' ' ARG . 23.4 p90 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.996 -0.526 . . . . 1.77 110.648 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 119.133 -0.46 . . . . 3.17 110.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 39.54 47.08 1.56 Allowed 'General case' 0 C--N 1.348 0.539 0 CA-C-O 122.383 1.087 . . . . 3.25 110.604 -173.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.453 HD13 ' H ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER 171.73 139.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 CA-C-N 112.863 -1.971 . . . . 0.75 108.779 -177.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.573 ' HD2' HG13 ' A' ' 851' ' ' ILE . 13.1 t80 -149.28 145.62 27.16 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.092 -1.447 . . . . 0.52 107.092 -176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 86.2 m -126.39 127.19 45.08 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.215 0.531 . . . . 1.39 109.97 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 21.2 tp -149.93 146.56 27.13 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 114.033 -1.44 . . . . 0.83 109.683 -166.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 8.4 mp -126.76 121.38 31.81 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.676 -0.861 . . . . 1.53 108.676 177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.829 HG23 ' CE3' ' A' ' 789' ' ' TRP . 4.5 p -67.14 112.27 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 115.735 -0.666 . . . . 1.1 110.44 -172.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.41 -49.33 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.878 -1.056 . . . . 3.06 112.392 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.503 ' O ' HG12 ' A' ' 788' ' ' VAL . 0.0 OUTLIER -126.71 45.13 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.93 -0.308 . . . . 1.8 110.934 -177.352 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 787' ' ' LYS . 0.3 OUTLIER 71.39 -41.73 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 123.886 0.874 . . . . 1.7 112.556 177.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.829 ' CE3' HG23 ' A' ' 785' ' ' VAL . 53.5 m0 61.02 115.87 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.311 0.856 . . . . 0.5 113.311 175.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -84.25 44.94 1.06 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.511 -0.768 . . . . 2.06 110.483 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.484 ' HB2' ' HD1' ' A' ' 834' ' ' TRP . 46.8 t80 68.77 -54.22 0.55 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.164 0.986 . . . . 0.47 112.365 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.28 -37.53 75.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.453 0.644 . . . . 1.86 109.702 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -64.48 -46.44 82.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.744 -1.117 . . . . 1.36 110.205 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 798' ' ' ILE . 3.4 tp -62.14 -41.22 98.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.976 -1.011 . . . . 0.22 110.331 177.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.58 -53.52 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.51 111.758 177.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 27.4 ptt? -62.43 -36.26 81.85 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.135 -0.226 . . . . 2.69 110.651 -177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.31 90.61 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.377 -0.374 . . . . 0.27 110.274 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 794' ' ' LEU . 69.9 mt -59.98 -49.11 85.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.743 -0.662 . . . . 0.67 110.748 175.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -57.61 -48.28 79.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.741 -0.663 . . . . 1.21 111.45 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 33.6 m -68.2 -43.87 77.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.206 -0.452 . . . . 1.29 111.24 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 44.8 tttm -68.26 -47.37 67.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.95 111.541 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.676 HG22 HG22 ' A' ' 805' ' ' THR . 9.7 mt -78.25 77.44 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-O 121.595 0.712 . . . . 1.56 110.312 177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 807' ' ' ASN . 13.4 m -78.58 -29.53 46.22 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.399 -0.819 . . . . 2.88 111.13 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -57.86 -52.27 66.17 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.841 0.682 . . . . 5.02 112.841 -173.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.676 HG22 HG22 ' A' ' 802' ' ' ILE . 3.8 t -64.51 -44.66 90.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.25 0.463 . . . . 5.49 112.25 -173.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.516 ' HB2' ' OD1' ' A' ' 809' ' ' ASN . 90.7 m-70 -150.41 -35.74 0.15 Allowed 'General case' 0 C--N 1.331 -0.213 0 O-C-N 122.506 -0.121 . . . . 6.49 110.961 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.559 ' HA ' ' HA ' ' A' ' 803' ' ' SER . 36.6 t30 75.4 -66.85 0.27 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.745 -0.661 . . . . 5.72 110.137 -171.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.12 56.94 2.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.655 0.74 . . . . 5.77 109.963 171.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.516 ' OD1' ' HB2' ' A' ' 806' ' ' HIS . 70.8 m-80 -61.23 -46.58 89.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.828 -1.078 . . . . 3.06 112.365 -173.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 48.2 mm 73.1 -43.89 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.199 0.6 . . . . 3.44 110.622 -175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.453 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 12.6 p -155.05 128.96 4.59 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.883 -0.599 . . . . 1.89 109.498 176.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 4.0 Cg_exo -79.89 58.9 7.2 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.368 2.712 . . . . 0.88 111.971 -178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 815' ' ' LYS . 17.1 mm 73.07 -18.05 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.515 0.726 . . . . 1.67 111.611 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 812' ' ' PRO . 13.3 p 71.8 -17.99 0.32 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.654 1.181 . . . . 1.9 110.75 -173.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.781 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.7 mmpt? -84.84 44.13 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 2.52 111.038 177.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 23.7 pt -80.66 142.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 122.252 1.025 . . . . 1.06 111.657 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.723 ' HG3' HG22 ' A' ' 827' ' ' VAL . 39.3 ttmt -126.62 143.37 51.24 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 113.702 -1.59 . . . . 1.35 106.767 179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 4.6 p90 -126.28 145.3 50.47 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-O 121.714 0.769 . . . . 0.3 110.166 -172.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.954 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 1.2 tt0 -128.31 147.71 50.63 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.76 -1.564 . . . . 1.08 108.663 -173.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -123.95 145.33 49.23 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.427 -0.583 . . . . 1.73 109.427 -171.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.802 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 5.0 tp10 -44.84 -35.74 2.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 114.65 -1.159 . . . . 3.38 111.783 -172.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -53.21 -48.59 68.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.729 -0.669 . . . . 5.63 110.262 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 131.85 54.21 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.893 -0.67 . . . . 1.39 111.986 175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.606 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 32.9 t70 -141.94 148.11 38.12 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.712 -0.395 . . . . 1.47 111.7 -171.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.702 ' CE1' ' HG3' ' A' ' 819' ' ' GLN . 9.3 m-85 -124.04 127.7 48.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.729 0.776 . . . . 1.16 110.268 -176.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.648 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 38.4 t -138.27 149.63 24.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 114.153 -1.385 . . . . 1.35 108.748 -174.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.723 HG22 ' HG3' ' A' ' 817' ' ' LYS . 46.2 t -122.51 134.08 66.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.653 -0.869 . . . . 1.22 108.653 -174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.509 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.9 pp -128.29 150.36 50.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.357 0.598 . . . . 1.03 112.071 -169.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 170.63 40.08 0.03 OUTLIER Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.829 -1.078 . . . . 1.2 111.209 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 12.1 t -167.96 37.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.415 0.15 . . . . 1.93 110.793 -176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 65.87 -61.04 0.28 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.549 0.944 . . . . 1.79 113.549 174.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.444 ' O ' HG23 ' A' ' 836' ' ' VAL . 6.2 mp0 -57.11 -43.46 82.32 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.523 0.564 . . . . 2.93 112.523 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.495 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.3 OUTLIER -57.9 -49.63 76.08 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.126 0.489 . . . . 2.14 110.592 -176.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.535 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 9.5 t-105 -63.94 -39.76 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.896 -0.593 . . . . 0.26 110.413 178.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -55.35 -45.25 76.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.623 -0.262 . . . . 2.0 110.763 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 832' ' ' GLU . 92.4 t -58.92 -46.26 91.44 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.094 -0.503 . . . . 1.36 110.965 177.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -61.13 -48.2 82.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.453 -0.34 . . . . 0.19 110.99 177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 15.6 mtpp -56.69 -49.62 74.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 1.22 111.636 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -59.26 -41.16 88.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.075 0.464 . . . . 2.22 110.28 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.92 -54.8 42.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.653 -0.703 . . . . 0.76 110.807 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 17.8 mt -58.88 -58.43 8.66 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-N 115.687 -0.688 . . . . 0.62 111.486 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.76 73.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.273 -0.876 . . . . 0.61 112.53 -173.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -68.27 -48.8 64.07 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.951 0.352 . . . . 2.92 111.951 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.538 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 4.6 m120 -68.68 -58.49 4.16 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.53 111.664 -174.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.538 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 17.1 p30 148.85 -25.95 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.532 1.133 . . . . 1.9 108.321 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.56 147.78 31.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.03 -1.441 . . . . 2.97 111.494 -174.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -144.4 -24.2 0.53 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.217 -0.447 . . . . 2.4 110.961 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.802 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.5 t80 -62.27 124.14 20.09 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.825 0.345 . . . . 0.54 110.238 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 819' ' ' GLN . 15.8 tp -132.37 140.62 48.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.72 -0.673 . . . . 0.56 109.614 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.954 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.1 m-80 -128.56 145.33 51.16 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.487 -0.931 . . . . 0.96 108.487 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.1 mm -127.39 124.29 63.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.075 0.464 . . . . 0.35 110.104 -173.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 46.1 ttt85 -106.25 125.99 51.67 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 116.382 -0.372 . . . . 2.38 110.245 177.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 7.6 mp -107.06 -9.04 16.31 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.791 -0.364 . . . . 1.56 110.223 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 13.4 p90 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 114.437 -1.256 . . . . 1.77 112.914 173.384 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.784 0.326 . . . . 3.17 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.23 133.92 47.52 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.372 -0.603 . . . . 3.25 109.372 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.737 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -86.28 136.68 22.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 109.233 -0.654 . . . . 0.75 109.233 178.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HE2' ' HA ' ' A' ' 798' ' ' ILE . 18.5 t80 -127.25 144.66 51.0 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.485 -0.932 . . . . 0.52 108.485 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.638 HG22 ' OD1' ' A' ' 850' ' ' ASN . 56.5 p -127.16 130.1 49.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.133 0.492 . . . . 1.39 109.878 -171.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 20.2 tp -149.61 145.66 26.89 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.339 -0.846 . . . . 0.83 109.445 -173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.82 122.13 31.9 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.809 -0.812 . . . . 1.53 108.809 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.461 ' HA ' ' CH2' ' A' ' 789' ' ' TRP . 2.8 m -68.29 123.82 22.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.751 -0.659 . . . . 1.1 110.183 -173.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -62.49 -37.22 85.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.73 -0.668 . . . . 3.06 111.51 -172.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.87 ' HD2' ' H ' ' A' ' 788' ' ' VAL . 0.0 OUTLIER -152.31 -55.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.546 -0.297 . . . . 1.8 111.589 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.87 ' H ' ' HD2' ' A' ' 787' ' ' LYS . 48.9 t -149.06 -66.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.83 -0.168 . . . . 1.7 110.77 -179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 788' ' ' VAL . 51.5 m0 74.52 127.97 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.749 0.656 . . . . 0.5 110.886 -177.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 791' ' ' PHE . 39.3 t30 -70.27 -45.81 65.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.637 0.732 . . . . 2.06 110.126 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 790' ' ' ASN . 38.4 t80 160.74 -43.56 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 113.066 -1.879 . . . . 0.47 108.245 177.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.44 -41.79 90.44 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.369 -0.832 . . . . 1.86 109.496 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.65 -46.53 84.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.997 -1.001 . . . . 1.36 109.983 177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 798' ' ' ILE . 5.6 tp -64.25 -46.56 83.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.414 -1.266 . . . . 0.22 111.128 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.77 -44.05 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.601 -0.272 . . . . 0.51 111.292 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 23.6 mmt -63.66 -41.97 98.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.475 -0.329 . . . . 2.69 111.329 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.3 93.08 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.962 0.41 . . . . 0.27 110.121 176.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.499 ' HA ' ' HE2' ' A' ' 781' ' ' PHE . 68.8 mt -57.35 -52.79 52.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 115.401 -0.818 . . . . 0.67 110.62 175.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.471 HD22 ' HA ' ' A' ' 799' ' ' ASN . 2.2 m120 -61.64 -37.09 82.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 1.21 111.854 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 36.4 t -58.67 -52.03 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.869 0.366 . . . . 1.29 110.582 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 804' ' ' ASN . 68.3 mttm -68.99 -39.0 79.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.459 -0.337 . . . . 1.95 111.851 178.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.515 HG23 ' HD2' ' A' ' 806' ' ' HIS . 16.2 mt -64.94 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 121.025 -0.27 . . . . 1.56 110.891 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.429 ' HB2' HD22 ' A' ' 809' ' ' ASN . 9.9 t -67.32 -30.6 70.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 2.88 110.393 176.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.553 ' HB3' ' O ' ' A' ' 801' ' ' LYS . 24.1 t-20 -57.92 -55.25 37.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.59 -0.732 . . . . 5.02 110.102 177.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 10.9 t -81.51 -32.55 32.31 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.16 -0.927 . . . . 5.49 110.97 -176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.515 ' HD2' HG23 ' A' ' 802' ' ' ILE . 88.9 m-70 -100.27 -122.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.588 -0.523 . . . . 6.49 109.588 172.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -171.81 139.06 1.13 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.987 -0.745 . . . . 5.72 108.987 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.509 HD22 ' N ' ' A' ' 808' ' ' ASN . 1.3 m120 72.13 135.74 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.801 0.688 . . . . 5.77 110.741 -178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.429 HD22 ' HB2' ' A' ' 803' ' ' SER . 2.6 m120 -76.1 -73.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.988 -0.375 . . . . 3.06 109.988 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 46.5 mm 69.13 -62.07 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 124.22 1.008 . . . . 3.44 111.204 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 28.5 p 165.13 145.22 0.04 OUTLIER Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 114.148 -1.387 . . . . 1.89 108.3 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 814' ' ' THR . 6.2 Cg_exo -76.45 51.21 3.18 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.534 2.156 . . . . 0.88 111.705 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 815' ' ' LYS . 27.0 mm 68.87 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 123.438 0.695 . . . . 1.67 111.252 -177.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 812' ' ' PRO . 82.5 p 67.11 -33.29 0.21 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.503 1.521 . . . . 1.9 112.534 -177.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER -79.37 54.22 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.843 0.354 . . . . 2.52 110.711 175.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.628 HD11 HD11 ' A' ' 828' ' ' LEU . 42.3 pt -76.55 143.31 13.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.06 111.393 -177.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 27.0 ttpt -127.23 141.27 51.77 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.773 -1.195 . . . . 1.35 107.773 176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.671 ' HD2' HD11 ' A' ' 849' ' ' LEU . 20.5 p90 -127.69 146.61 50.51 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 121.669 0.747 . . . . 0.3 111.466 -167.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.999 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 11.5 tt0 -127.58 145.63 50.8 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.625 -1.171 . . . . 1.08 109.867 -176.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.466 ' HB3' ' HE1' ' A' ' 840' ' ' MET . 3.3 p30 -126.04 140.47 52.57 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.09 -0.505 . . . . 1.73 109.683 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.686 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 43.2 mt-10 59.5 24.15 12.83 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.451 -0.795 . . . . 3.38 110.736 -175.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.493 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 2.8 p30 41.9 41.86 2.04 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.327 -0.851 . . . . 5.63 112.452 -176.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -137.53 -30.52 0.25 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.102 -1.047 . . . . 1.39 114.297 -177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -127.68 146.64 50.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 117.555 0.677 . . . . 1.47 110.792 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 819' ' ' GLN . 0.2 OUTLIER -124.54 131.88 53.47 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.465 0.65 . . . . 1.16 110.846 -172.069 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.2 p -150.15 148.56 15.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 114.139 -1.391 . . . . 1.35 108.775 -172.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.626 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.5 p -122.77 142.76 38.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 121.263 -0.898 . . . . 1.22 110.75 -168.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.763 ' HB2' ' HB2' ' A' ' 833' ' ' ASP . 3.7 pp -128.07 149.21 50.49 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.314 -0.857 . . . . 1.03 111.497 -168.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.91 35.15 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.718 -0.753 . . . . 1.2 112.533 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 13.3 p -157.97 36.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.563 0.221 . . . . 1.93 111.369 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 67.37 -59.88 0.39 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.487 0.921 . . . . 1.79 113.487 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -60.02 -29.51 68.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.637 0.256 . . . . 2.93 111.596 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.763 ' HB2' ' HB2' ' A' ' 828' ' ' LEU . 6.0 m-20 -57.66 -43.07 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 2.14 110.065 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.569 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 17.8 t-105 -68.16 -40.3 82.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.975 -0.557 . . . . 0.26 110.585 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.494 ' HA ' ' NZ ' ' A' ' 838' ' ' LYS . 92.0 m-20 -57.98 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 2.0 110.886 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.5 m -64.1 -36.73 77.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.283 -0.417 . . . . 1.36 111.142 178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.27 -49.01 79.32 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 121.005 -0.278 . . . . 0.19 111.376 178.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 31.5 mtmm -58.69 -51.46 69.83 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.8 0.333 . . . . 1.22 110.712 179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.92 -41.56 87.6 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-N 115.703 -0.68 . . . . 2.22 110.57 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.466 ' HE1' ' HB3' ' A' ' 820' ' ' ASP . 41.0 ttp -54.37 -50.35 67.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 0.76 111.087 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.615 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 34.9 mt -59.39 -57.62 12.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.971 0.415 . . . . 0.62 111.087 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.08 -47.07 81.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.763 -0.653 . . . . 0.61 112.411 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.83 -47.53 74.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.524 -0.307 . . . . 2.92 111.245 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.4 m120 -68.53 -58.3 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 119.5 -0.286 . . . . 1.53 111.393 -176.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.558 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 15.8 p30 161.76 -29.66 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.757 0.661 . . . . 1.9 111.086 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.696 ' HG3' ' H ' ' A' ' 847' ' ' LYS . 5.9 tp10 -82.59 -158.65 0.27 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.286 0.565 . . . . 2.97 111.662 -169.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.696 ' H ' ' HG3' ' A' ' 846' ' ' GLU . 0.1 OUTLIER -176.06 -28.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.406 -0.816 . . . . 2.4 108.816 -178.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -55.48 131.9 47.16 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.343 -0.844 . . . . 0.54 111.143 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.671 HD11 ' HD2' ' A' ' 818' ' ' TYR . 14.6 tp -128.49 145.23 51.17 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.422 -0.808 . . . . 0.56 110.084 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.999 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.5 m-80 -128.37 145.54 51.04 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 108.281 -1.007 . . . . 0.96 108.281 -179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.8 OUTLIER -127.61 130.32 70.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 C-N-CA 120.749 -0.38 . . . . 0.35 110.121 -174.407 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -107.95 129.68 55.09 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 116.149 -0.478 . . . . 2.38 109.893 171.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.407 ' N ' HD22 ' A' ' 853' ' ' LEU . 2.2 mm? -96.05 133.43 40.3 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 108.386 -0.968 . . . . 1.56 108.386 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.401 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 11.5 p90 . . . . . 0 C--O 1.244 0.781 0 CA-C-O 118.163 -0.923 . . . . 1.77 110.068 -177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 60.1 m . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.877 0.37 . . . . 3.17 111.217 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -66.98 132.54 48.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 3.25 110.092 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.63 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.8 tp -97.92 138.49 22.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.365 0.602 . . . . 0.75 110.636 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.556 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.8 t80 -128.32 145.71 50.98 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.069 -1.085 . . . . 0.52 108.069 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.573 HG22 ' OD1' ' A' ' 850' ' ' ASN . 12.8 p -126.56 126.39 43.58 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.794 -0.447 . . . . 1.39 109.794 -174.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 19.7 tp -150.1 146.21 26.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.224 -0.898 . . . . 0.83 109.115 -171.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.9 mp -126.5 122.5 35.36 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.251 -0.579 . . . . 1.53 109.684 -177.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.75 HG21 HD13 ' A' ' 841' ' ' LEU . 22.3 m -70.81 69.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 114.926 -1.033 . . . . 1.1 111.617 -175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -50.09 -50.44 48.18 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.077 -0.965 . . . . 3.06 110.689 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -113.17 149.41 33.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.329 -0.989 . . . . 1.8 108.329 171.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.41 88.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.296 0.57 . . . . 1.7 110.756 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.611 ' CE3' HG12 ' A' ' 785' ' ' VAL . 26.5 m0 -65.3 135.93 55.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.149 -0.932 . . . . 0.5 111.944 -174.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.76 42.75 0.8 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.089 0.471 . . . . 2.06 110.532 176.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.481 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 30.5 t80 67.47 -50.8 0.5 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.219 1.008 . . . . 0.47 112.418 -178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -60.17 -42.03 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.947 0.403 . . . . 1.86 110.419 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 2.9 m-20 -62.28 -41.96 98.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.644 0.735 . . . . 1.36 110.147 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' ' 798' ' ' ILE . 7.8 tp -63.11 -44.67 95.01 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.577 -1.192 . . . . 0.22 110.454 177.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 23.0 mm -59.34 -45.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.033 -0.53 . . . . 0.51 111.129 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 85.1 mtp -59.8 -43.91 94.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.393 -0.367 . . . . 2.69 111.024 179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.41 -43.47 97.42 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.899 0.381 . . . . 0.27 110.758 177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.496 ' HA ' ' CE2' ' A' ' 781' ' ' PHE . 81.2 mt -59.15 -52.3 62.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.653 -0.703 . . . . 0.67 110.574 176.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.503 ' HB3' ' HB3' ' A' ' 809' ' ' ASN . 4.9 m120 -58.31 -49.3 77.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.581 -0.736 . . . . 1.21 111.926 -178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.0 p -62.26 -47.87 82.42 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.196 0.443 . . . . 1.29 112.196 -176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -68.27 -41.82 80.48 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.05 0.389 . . . . 1.95 112.05 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 32.3 mt -71.28 -37.59 66.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.855 0.317 . . . . 1.56 111.855 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.839 ' HB3' ' HB2' ' A' ' 809' ' ' ASN . 47.1 p -64.75 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.506 0.558 . . . . 2.88 112.506 -175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 36.1 t30 72.22 -49.93 0.69 Allowed 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.761 0.824 . . . . 5.02 111.494 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 17.1 p -61.75 -69.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.904 -0.406 . . . . 5.49 109.904 176.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 806' ' ' HIS . 0.2 OUTLIER -81.98 137.87 35.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.925 -1.034 . . . . 6.49 108.241 165.272 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -63.79 -61.02 2.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.281 -0.418 . . . . 5.72 110.546 -172.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.28 121.33 40.92 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.395 0.617 . . . . 5.77 109.971 174.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.839 ' HB2' ' HB3' ' A' ' 803' ' ' SER . 32.9 t-20 -81.45 123.72 28.83 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.304 -0.999 . . . . 3.06 108.304 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 47.9 mm -68.44 -58.45 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.016 0.436 . . . . 3.44 110.215 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 64.1 m -166.79 151.6 7.08 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.586 -0.734 . . . . 1.89 109.549 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.1 55.95 4.16 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.346 2.697 . . . . 0.88 110.798 175.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.771 HG22 HG22 ' A' ' 814' ' ' THR . 47.1 mm 72.53 -61.61 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 114.0 -1.455 . . . . 1.67 109.008 -169.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.771 HG22 HG22 ' A' ' 813' ' ' ILE . 4.0 t 159.34 -33.11 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.383 -1.28 . . . . 1.9 107.584 -179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.712 ' HA ' ' HE2' ' A' ' 815' ' ' LYS . 10.4 mmpt? -79.81 127.22 31.96 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.202 -1.363 . . . . 2.52 111.053 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 9.4 pt -147.5 150.16 14.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.867 0.841 . . . . 1.06 111.452 175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 1.103 ' HB2' ' HB3' ' A' ' 852' ' ' ARG . 51.1 mttp -127.72 147.07 50.39 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.215 -1.357 . . . . 1.35 108.465 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.767 ' HD2' HD12 ' A' ' 828' ' ' LEU . 6.2 p90 -126.91 144.67 50.93 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.334 0.588 . . . . 0.3 109.979 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.94 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.2 tt0 -128.66 145.85 51.04 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.313 -0.858 . . . . 1.08 110.035 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.62 139.1 53.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.114 -0.493 . . . . 1.73 110.186 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 62.63 16.92 9.26 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.061 0.851 . . . . 3.38 110.396 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 28.1 t70 50.59 47.51 24.13 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.15 -0.932 . . . . 5.63 110.953 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -150.77 -29.72 0.05 OUTLIER Glycine 0 CA--C 1.521 0.449 0 C-N-CA 120.219 -0.991 . . . . 1.39 113.804 -174.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -127.38 146.9 50.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 117.325 0.562 . . . . 1.47 109.988 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' A' ' 852' ' ' ARG . 0.2 OUTLIER -124.67 130.5 52.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.793 0.806 . . . . 1.16 111.199 -171.085 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.01 150.33 32.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.112 -1.404 . . . . 1.35 108.138 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.989 HG22 ' HG2' ' A' ' 817' ' ' LYS . 21.5 t -122.9 129.26 75.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 N-CA-C 109.387 -0.597 . . . . 1.22 109.387 -170.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.767 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.91 151.47 49.62 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.46 0.648 . . . . 1.03 111.471 -173.743 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -163.41 -35.96 0.02 OUTLIER Glycine 0 N--CA 1.441 -1.025 0 CA-C-N 114.953 -1.021 . . . . 1.2 111.22 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.5 t -75.48 -77.35 0.13 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.74 -0.23 . . . . 1.93 110.66 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -178.41 -51.12 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.818 0.342 . . . . 1.79 110.608 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.688 ' HA ' HD22 ' A' ' 835' ' ' ASN . 23.7 pt-20 -53.91 -39.73 66.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.722 0.638 . . . . 2.93 112.722 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB2' ' CB ' ' A' ' 828' ' ' LEU . 0.4 OUTLIER -59.55 -38.7 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.327 0.584 . . . . 2.14 110.387 -175.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.645 ' HH2' HG11 ' A' ' 785' ' ' VAL . 39.7 t-105 -68.25 -39.06 82.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.489 . . . . 0.26 110.517 176.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.688 HD22 ' HA ' ' A' ' 832' ' ' GLU . 79.4 m-20 -61.29 -47.8 84.33 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.649 -0.251 . . . . 2.0 110.608 -179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 833' ' ' ASP . 10.5 m -62.4 -36.38 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.45 . . . . 1.36 110.232 176.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -59.36 -51.99 67.55 Favored 'General case' 0 C--N 1.339 0.114 0 C-N-CA 121.245 -0.182 . . . . 0.19 111.426 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.513 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 32.6 mtmm -57.11 -47.63 80.6 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.593 -0.276 . . . . 1.22 110.666 -178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.15 -48.69 78.09 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.342 0.592 . . . . 2.22 110.2 176.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.623 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 37.7 ttp -52.83 -52.93 55.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.803 -1.09 . . . . 0.76 111.392 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 785' ' ' VAL . 20.2 mt -58.21 -54.69 44.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.395 -0.366 . . . . 0.62 111.205 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.81 93.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.151 0.426 . . . . 0.61 112.151 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -65.36 -47.41 76.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.223 0.535 . . . . 2.92 110.833 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 25.6 m-80 -62.66 -35.25 79.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 1.53 111.271 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.537 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 97.38 -7.55 0.06 Allowed 'General case' 0 N--CA 1.479 0.996 0 O-C-N 124.787 1.304 . . . . 1.9 109.7 -176.109 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -77.55 162.0 27.45 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.37 -0.832 . . . . 2.97 110.774 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.46 ' HG3' HG23 ' A' ' 785' ' ' VAL . 36.2 ttpt -151.6 3.47 0.41 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.899 -0.591 . . . . 2.4 110.147 -177.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -78.29 124.82 28.52 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.618 -0.512 . . . . 0.54 109.618 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 819' ' ' GLN . 19.1 tp -128.58 143.84 51.04 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.547 0.689 . . . . 0.56 109.941 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.94 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 70.4 m-80 -128.43 145.34 51.12 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.028 -1.101 . . . . 0.96 108.028 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.557 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -127.43 130.65 70.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 109.283 -0.636 . . . . 0.35 109.283 -174.316 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 1.103 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 1.9 ttm180 -100.39 136.31 40.47 Favored 'General case' 0 N--CA 1.437 -1.108 0 C-N-CA 120.453 -0.499 . . . . 2.38 111.361 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.424 ' N ' ' HG3' ' A' ' 852' ' ' ARG . 2.0 mm? -111.19 136.08 50.79 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.904 -1.044 . . . . 1.56 108.829 167.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.66 ' CZ ' ' HB3' ' A' ' 815' ' ' LYS . 48.4 p90 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 117.944 -1.027 . . . . 1.77 109.397 -170.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 854' ' ' TYR . 71.3 m . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.58 0.228 . . . . 3.17 111.241 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 853' ' ' LEU . 17.4 pm0 -60.73 127.86 33.72 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.088 0.47 . . . . 3.25 110.299 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.866 HD11 ' HB3' ' A' ' 850' ' ' ASN . 9.0 tp -95.13 140.82 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 CA-C-N 115.192 -0.913 . . . . 0.75 110.403 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.521 ' HD2' HG13 ' A' ' 851' ' ' ILE . 30.2 t80 -127.28 145.39 50.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.057 -0.974 . . . . 0.52 108.643 -178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 9.8 t -126.75 129.19 47.89 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.124 0.488 . . . . 1.39 110.153 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 849' ' ' LEU . 21.8 tp -150.52 146.41 26.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.24 -1.346 . . . . 0.83 109.61 -169.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.43 123.7 38.47 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 1.53 109.391 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.6 m -68.66 133.98 30.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.933 -1.031 . . . . 1.1 112.011 -169.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -85.94 -126.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.447 -0.797 . . . . 3.06 111.258 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.802 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 0.0 OUTLIER -71.26 51.91 0.17 Allowed 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.448 -0.796 . . . . 1.8 112.529 -177.146 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 25.6 t 60.99 80.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.481 0.657 . . . . 1.7 110.862 177.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.426 ' CZ3' ' HA ' ' A' ' 785' ' ' VAL . 38.9 m0 -63.01 129.82 42.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.318 -0.855 . . . . 0.5 111.546 -178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -85.52 43.66 1.04 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.538 -0.301 . . . . 2.06 110.805 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 35.8 t80 69.83 -53.17 0.62 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.853 0.861 . . . . 0.47 111.766 -178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -62.11 -41.18 97.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.733 0.302 . . . . 1.86 110.36 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.13 -43.66 95.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.523 0.678 . . . . 1.36 110.004 176.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.3 tp -64.49 -45.68 86.29 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.576 -1.193 . . . . 0.22 110.642 179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.428 HD13 HD12 ' A' ' 798' ' ' ILE . 26.5 mm -64.52 -40.55 89.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.56 -0.291 . . . . 0.51 111.18 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 88.9 mtp -60.12 -44.91 94.54 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.741 0.305 . . . . 2.69 110.76 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.09 91.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.869 -0.605 . . . . 0.27 110.256 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.623 ' O ' HG12 ' A' ' 802' ' ' ILE . 76.7 mt -58.95 -52.88 55.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.414 -0.812 . . . . 0.67 110.748 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.512 HD21 ' HD3' ' A' ' 812' ' ' PRO . 4.7 m120 -52.4 -45.23 65.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.997 -177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 32.9 t -65.48 -50.46 65.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.962 0.41 . . . . 1.29 110.851 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -67.95 -36.36 79.98 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.247 0.832 . . . . 1.95 113.247 -175.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 798' ' ' ILE . 31.6 mm -57.3 -56.74 13.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 111.986 0.365 . . . . 1.56 111.986 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 65.1 m -158.83 55.65 0.43 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.726 0.639 . . . . 2.88 112.726 -174.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 806' ' ' HIS . 9.1 p-10 -79.29 -7.6 58.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.65 0.262 . . . . 5.02 110.846 174.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.0 t -71.07 36.73 0.05 Allowed 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.624 0.601 . . . . 5.49 112.624 -175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' A' ' 807' ' ' ASN . 0.3 OUTLIER -176.07 -43.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.893 0.477 . . . . 6.49 109.816 171.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.459 ' H ' ' CD2' ' A' ' 806' ' ' HIS . 14.1 p30 -173.66 -148.09 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.44 -0.948 . . . . 5.72 108.44 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 808' ' ' ASN . 0.0 OUTLIER -66.86 142.0 57.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.184 0.516 . . . . 5.77 111.81 177.041 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.518 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 0.2 OUTLIER -76.19 -15.13 60.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.915 -0.584 . . . . 3.06 109.93 178.434 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 44.5 mm 85.32 -58.06 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 114.83 -1.077 . . . . 3.44 111.023 -177.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 810' ' ' ILE . 21.2 t 174.27 148.08 0.23 Allowed Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.617 -0.72 . . . . 1.89 109.725 -177.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.512 ' HD3' HD21 ' A' ' 799' ' ' ASN . 3.9 Cg_exo -75.56 54.5 3.93 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 123.159 2.573 . . . . 0.88 110.396 174.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.472 ' O ' ' HB ' ' A' ' 814' ' ' THR . 50.5 mm 70.3 -74.42 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 114.183 -1.371 . . . . 1.67 108.992 -169.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 813' ' ' ILE . 9.1 t 149.69 -24.32 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.884 1.274 . . . . 1.9 108.209 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.584 ' HB3' ' OH ' ' A' ' 854' ' ' TYR . 0.0 OUTLIER -66.74 -54.48 22.46 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 114.636 -1.165 . . . . 2.52 111.34 -177.024 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.7 pt 47.03 133.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 116.017 1.858 . . . . 1.06 116.017 178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.886 ' HG2' HG22 ' A' ' 827' ' ' VAL . 82.4 mttt -127.61 147.03 50.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.035 -1.893 . . . . 1.35 108.548 174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.585 ' HB2' HD11 ' A' ' 849' ' ' LEU . 3.0 p90 -126.2 144.99 50.56 Favored 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 109.351 -0.611 . . . . 0.3 109.351 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.811 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 9.6 tt0 -128.12 145.45 51.01 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 114.94 -1.027 . . . . 1.08 109.675 -174.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.55 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 11.7 p-10 -125.74 136.87 53.65 Favored 'General case' 0 C--O 1.245 0.828 0 CA-C-N 116.023 -0.535 . . . . 1.73 110.084 -174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 56.96 23.96 8.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.388 -1.278 . . . . 3.38 111.271 -174.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.493 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 7.3 t0 48.8 58.64 5.09 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.681 -0.69 . . . . 5.63 110.758 179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -164.01 -29.4 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 119.912 -1.137 . . . . 1.39 113.737 -175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 7.3 t70 -127.41 145.86 50.68 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.569 -0.53 . . . . 1.47 109.569 -175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.8 OUTLIER -125.79 136.82 53.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.943 0.877 . . . . 1.16 111.599 -172.085 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.549 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 50.9 t -140.2 150.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 113.925 -1.489 . . . . 1.35 108.26 -176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.886 HG22 ' HG2' ' A' ' 817' ' ' LYS . 15.8 t -121.98 132.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 N-CA-C 108.28 -1.008 . . . . 1.22 108.28 -171.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 818' ' ' TYR . 2.1 pp -128.45 151.33 49.51 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 119.765 -0.774 . . . . 1.03 112.742 -167.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 172.54 26.6 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.796 -1.093 . . . . 1.2 112.219 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -143.16 19.75 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.893 0.346 . . . . 1.93 110.881 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.8 t70 70.79 -52.67 0.67 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.509 0.724 . . . . 1.79 112.155 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.14 -42.08 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.13 0.49 . . . . 2.93 111.177 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.437 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.5 OUTLIER -58.15 -48.22 80.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.253 -0.885 . . . . 2.14 111.067 176.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.543 ' HH2' HG11 ' A' ' 785' ' ' VAL . 20.3 t-105 -65.35 -37.62 87.62 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.277 -0.42 . . . . 0.26 110.478 176.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 839' ' ' GLU . 22.0 t30 -59.76 -50.51 73.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.544 -0.298 . . . . 2.0 110.966 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 28.6 m -62.79 -36.53 75.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.908 -0.317 . . . . 1.36 110.706 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.634 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.91 -48.31 82.4 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 121.006 -0.278 . . . . 0.19 110.973 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 30.8 mtmm -56.9 -48.49 78.08 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.535 0.207 . . . . 1.22 111.023 178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 835' ' ' ASN . 51.0 mt-10 -59.57 -44.16 93.38 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.152 0.501 . . . . 2.22 110.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.55 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 34.9 ttp -56.94 -56.4 22.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.194 -0.912 . . . . 0.76 111.192 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 37.2 mt -54.94 -51.9 64.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.62 110.984 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.06 -53.42 46.05 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.556 0.576 . . . . 0.61 112.556 -176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.843 0.354 . . . . 2.92 111.29 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 3.1 m120 -68.21 -35.27 77.72 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.036 -0.529 . . . . 1.53 110.889 -179.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.486 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.37 -14.17 0.14 Allowed 'General case' 0 N--CA 1.478 0.969 0 O-C-N 124.348 1.03 . . . . 1.9 109.572 -173.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -75.51 64.94 1.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.334 -0.848 . . . . 2.97 110.98 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 29.8 ttpt -81.84 30.07 0.38 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.491 -0.322 . . . . 2.4 111.77 -174.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -91.06 125.42 35.84 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.934 -0.765 . . . . 0.54 108.934 173.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 818' ' ' TYR . 33.0 tp -128.0 138.91 52.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.707 0.765 . . . . 0.56 110.552 -177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.866 ' HB3' HD11 ' A' ' 780' ' ' ILE . 72.2 m-80 -129.01 145.96 51.11 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.949 -1.023 . . . . 0.96 108.916 -179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.521 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.1 OUTLIER -127.15 124.84 65.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 109.644 -0.502 . . . . 0.35 109.644 -174.781 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.605 ' HB3' ' HB2' ' A' ' 817' ' ' LYS . 37.6 ttm180 -104.23 134.79 46.86 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.719 -0.474 . . . . 2.38 109.719 176.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.441 ' HB2' ' OE2' ' A' ' 779' ' ' GLU . 5.5 mp -100.56 -26.54 13.8 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.732 -0.387 . . . . 1.56 110.855 179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.651 ' CE1' ' HG3' ' A' ' 817' ' ' LYS . 6.6 p90 . . . . . 0 C--O 1.252 1.188 0 O-C-N 124.355 1.034 . . . . 1.77 112.815 173.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.92 0.391 . . . . 3.17 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 779' ' ' GLU . 2.3 pm0 -66.6 126.73 29.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 3.25 110.202 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.759 HD11 ' HB3' ' A' ' 850' ' ' ASN . 8.4 tp -92.42 138.07 20.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.638 0.732 . . . . 0.75 110.659 -177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.51 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.5 t80 -128.61 146.73 50.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.215 -1.031 . . . . 0.52 108.215 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.541 HG22 ' OD1' ' A' ' 850' ' ' ASN . 80.5 p -125.33 129.25 49.58 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.009 -0.737 . . . . 1.39 109.009 -175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 41.9 tp -149.72 146.48 27.24 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.497 -1.228 . . . . 0.83 109.461 -169.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.3 mp -126.68 119.46 27.02 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 108.849 -0.797 . . . . 1.53 108.849 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.726 HG13 ' CE3' ' A' ' 789' ' ' TRP . 20.9 t -62.19 -35.76 70.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.252 -1.34 . . . . 1.1 111.623 -168.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.741 ' HA ' ' HD2' ' A' ' 847' ' ' LYS . 16.5 tp10 69.39 -59.47 0.49 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.229 0.612 . . . . 3.06 111.746 175.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.85 139.59 39.99 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.787 -0.82 . . . . 1.8 108.787 175.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 1.002 HG23 ' HD2' ' A' ' 838' ' ' LYS . 1.4 p -46.74 108.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.608 -0.724 . . . . 1.7 112.41 -174.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.726 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.1 m0 -82.9 142.81 31.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.268 -0.878 . . . . 0.5 110.302 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.8 47.28 1.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.928 0.395 . . . . 2.06 110.292 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 53.9 t80 65.11 -55.04 0.31 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.222 1.009 . . . . 0.47 113.033 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.27 -38.02 85.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.167 0.508 . . . . 1.86 110.185 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.478 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 30.5 m-20 -62.58 -42.42 99.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.394 -0.821 . . . . 1.36 109.591 175.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.419 HD22 ' CE2' ' A' ' 834' ' ' TRP . 8.7 tp -62.49 -45.83 91.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.469 -1.241 . . . . 0.22 110.414 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 21.1 mm -59.54 -48.13 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.51 111.062 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 83.0 mtp -59.53 -45.01 93.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 -0.263 . . . . 2.69 111.161 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.27 -47.2 87.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.27 110.383 177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 802' ' ' ILE . 69.2 mt -59.66 -50.73 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.908 -0.587 . . . . 0.67 110.937 176.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.446 HD21 ' HD3' ' A' ' 812' ' ' PRO . 5.2 m120 -52.21 -52.77 50.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.792 -0.64 . . . . 1.21 111.82 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' A' ' 804' ' ' ASN . 17.1 m -68.76 -50.85 47.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.976 -0.557 . . . . 1.29 111.869 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -68.46 -37.1 79.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.154 0.798 . . . . 1.95 113.154 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.8 mt -58.78 -66.76 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 120.76 -0.376 . . . . 1.56 110.622 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 69.0 m -167.53 79.58 0.19 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 2.88 109.926 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.742 ' HB3' ' HA ' ' A' ' 800' ' ' SER . 0.1 OUTLIER -75.08 42.64 0.19 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.188 0.518 . . . . 5.02 111.741 -178.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.0 t -177.65 140.53 0.26 Allowed 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.464 -0.789 . . . . 5.49 109.881 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 45.9 m170 73.44 -49.61 0.69 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.715 0.806 . . . . 6.49 112.98 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -86.78 -144.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.968 0.413 . . . . 5.72 111.077 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' A' ' 811' ' ' SER . 1.2 p30 -62.12 -69.65 0.24 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.646 -0.707 . . . . 5.77 111.346 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.428 ' ND2' ' HA ' ' A' ' 804' ' ' ASN . 1.8 t-20 66.48 -51.27 0.44 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.871 0.868 . . . . 3.06 112.605 178.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.9 -44.97 92.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.176 0.513 . . . . 3.44 110.695 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.452 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 50.6 p -151.72 138.13 11.67 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.586 -0.734 . . . . 1.89 109.932 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.62 ' HB2' HG22 ' A' ' 816' ' ' ILE . 3.4 Cg_exo -73.77 64.18 4.85 Favored 'Trans proline' 0 CA--C 1.511 -0.643 0 C-N-CA 123.155 2.57 . . . . 0.88 110.749 178.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.719 HG22 HG22 ' A' ' 814' ' ' THR . 1.6 mp 72.1 -67.99 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 113.251 -1.795 . . . . 1.67 107.939 -167.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.719 HG22 HG22 ' A' ' 813' ' ' ILE . 4.1 t 158.27 -30.57 0.0 OUTLIER 'General case' 0 C--O 1.231 0.088 0 CA-C-N 114.915 -1.039 . . . . 1.9 108.267 176.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.755 ' HA ' ' HE3' ' A' ' 815' ' ' LYS . 0.4 OUTLIER -66.61 -64.21 0.9 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 114.429 -1.26 . . . . 2.52 112.23 -173.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.62 HG22 ' HB2' ' A' ' 812' ' ' PRO . 18.6 pt 53.83 131.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.404 1.482 . . . . 1.06 113.973 -174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.733 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 77.1 tttt -127.7 145.38 50.91 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.01 -1.45 . . . . 1.35 108.291 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.703 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 5.7 p90 -126.96 145.9 50.52 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.475 0.655 . . . . 0.3 110.427 -174.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.038 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 5.5 tt0 -127.96 147.34 50.48 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.486 -1.234 . . . . 1.08 108.942 -176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.43 ' N ' ' HG2' ' A' ' 819' ' ' GLN . 0.0 OUTLIER -124.61 145.67 49.49 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.708 -0.479 . . . . 1.73 109.708 -172.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 846' ' ' GLU . 6.4 tp10 -41.93 -36.47 1.09 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 114.263 -1.335 . . . . 3.38 112.561 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.417 ' HB3' ' OD2' ' A' ' 820' ' ' ASP . 34.7 t70 -56.08 -33.08 64.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.058 0.456 . . . . 5.63 111.245 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 112.78 58.04 0.43 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.898 -0.668 . . . . 1.39 111.531 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 6.9 t70 -147.18 147.07 30.13 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 121.203 -0.199 . . . . 1.47 110.768 -172.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.733 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 1.8 m-85 -124.44 128.86 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.484 0.659 . . . . 1.16 110.165 -176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.508 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 82.4 t -142.9 148.85 19.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 114.362 -1.29 . . . . 1.35 108.612 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 816' ' ' ILE . 7.2 p -122.64 131.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 108.537 -0.912 . . . . 1.22 108.537 -174.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.669 HD12 ' HD2' ' A' ' 818' ' ' TYR . 0.0 OUTLIER -128.61 149.58 50.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.394 -0.821 . . . . 1.03 113.176 -163.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 179.59 -26.13 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 114.224 -1.353 . . . . 1.2 112.104 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 20.5 m -72.73 -7.66 51.62 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.448 0.536 . . . . 1.93 112.448 -176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 40.1 t0 64.42 49.37 2.49 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.556 1.169 . . . . 1.79 109.589 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -158.68 -46.02 0.06 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 113.838 -1.528 . . . . 2.93 107.133 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.41 ' OD2' ' HA ' ' A' ' 828' ' ' LEU . 1.0 OUTLIER -56.77 -46.17 81.64 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 112.95 -1.932 . . . . 2.14 110.602 166.383 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.597 ' HB2' HD23 ' A' ' 828' ' ' LEU . 20.3 t-105 -66.41 -41.19 89.65 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.308 -0.405 . . . . 0.26 110.151 175.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.562 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 46.5 t30 -57.32 -49.66 75.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 2.0 111.322 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 14.1 p -63.34 -36.43 76.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.466 -0.333 . . . . 1.36 110.426 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.703 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -58.26 -49.86 75.62 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.015 -0.274 . . . . 0.19 111.116 174.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 1.002 ' HD2' HG23 ' A' ' 788' ' ' VAL . 9.3 mtmp? -56.1 -49.39 73.97 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.821 0.343 . . . . 1.22 110.751 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 6.0 mm-40 -63.03 -39.72 95.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.736 -0.665 . . . . 2.22 110.312 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.558 ' HE2' ' HA ' ' A' ' 837' ' ' ALA . 44.8 ttp -56.47 -52.4 64.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.363 -0.835 . . . . 0.76 110.886 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 6.7 mt -58.67 -48.63 80.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.251 -0.431 . . . . 0.62 110.662 178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.34 -49.12 68.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.861 -0.609 . . . . 0.61 112.155 -175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -66.97 -50.13 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.289 0.566 . . . . 2.92 110.205 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.737 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 54.1 m-80 -67.94 -35.82 79.06 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.537 -0.756 . . . . 1.53 111.955 -178.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.44 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 92.71 -12.73 0.17 Allowed 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.574 1.149 . . . . 1.9 109.792 -173.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.867 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 14.0 mt-10 -74.96 73.71 2.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.424 -0.807 . . . . 2.97 110.34 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.741 ' HD2' ' HA ' ' A' ' 786' ' ' GLU . 38.9 ttpt -74.29 0.23 14.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.968 -1.015 . . . . 2.4 111.762 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.549 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 7.4 t80 -68.39 125.32 26.07 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.086 -0.339 . . . . 0.54 110.086 178.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.3 tp -128.65 142.61 50.97 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.69 0.757 . . . . 0.56 109.943 177.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.038 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.8 m-80 -128.52 146.56 50.79 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 108.088 -1.079 . . . . 0.96 108.088 179.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.19 124.64 66.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 109.119 -0.697 . . . . 0.35 109.119 -174.464 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.427 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 42.8 ttm180 -110.9 129.48 55.86 Favored 'General case' 0 N--CA 1.431 -1.382 0 C-N-CA 120.54 -0.464 . . . . 2.38 110.703 179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.513 ' HB2' ' HG2' ' A' ' 779' ' ' GLU . 1.7 mm? -100.98 134.62 43.7 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.391 -1.337 . . . . 1.56 107.391 170.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.721 -0.656 . . . . 1.77 109.815 -174.615 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 110.264 -0.273 . . . . 3.17 110.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.74 118.8 13.05 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.976 -0.379 . . . . 3.25 109.976 174.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.411 HD11 ' HB3' ' A' ' 850' ' ' ASN . 5.8 tp -106.07 136.54 40.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.789 -0.641 . . . . 0.75 110.191 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.511 ' HD2' HG13 ' A' ' 851' ' ' ILE . 11.8 t80 -129.05 146.38 51.03 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.671 -0.863 . . . . 0.52 108.671 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.514 HG22 ' OD1' ' A' ' 850' ' ' ASN . 21.5 p -125.92 133.67 51.79 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.882 0.372 . . . . 1.39 110.022 -174.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 1.06 HD11 ' HZ3' ' A' ' 789' ' ' TRP . 2.7 tm? -150.02 145.9 26.67 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.697 -1.138 . . . . 0.83 109.769 -167.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.533 ' H ' HD22 ' A' ' 783' ' ' LEU . 7.4 tt -128.23 121.54 29.61 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.499 -0.926 . . . . 1.53 108.499 176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.496 ' HA ' ' CZ3' ' A' ' 789' ' ' TRP . 35.1 m -71.12 119.1 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 1.1 110.984 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -77.48 -48.6 16.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.348 -0.842 . . . . 3.06 111.986 -171.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 788' ' ' VAL . 52.5 pttt -145.45 55.7 1.21 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.399 -0.364 . . . . 1.8 111.238 -173.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.454 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 53.4 t 70.98 -58.12 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.541 -0.754 . . . . 1.7 111.582 178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 1.06 ' HZ3' HD11 ' A' ' 783' ' ' LEU . 42.8 m0 69.98 124.07 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.337 0.655 . . . . 0.5 112.08 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -78.9 38.87 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.536 -0.756 . . . . 2.06 111.299 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.461 ' HB2' ' CD1' ' A' ' 834' ' ' TRP . 18.1 t80 71.39 -48.72 0.68 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.68 0.792 . . . . 0.47 111.759 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.495 ' HA ' HG22 ' A' ' 795' ' ' ILE . 38.3 m-20 -62.11 -40.52 96.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.881 0.372 . . . . 1.86 110.34 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.87 -37.84 88.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.14 0.495 . . . . 1.36 110.379 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.477 HD22 ' CZ2' ' A' ' 834' ' ' TRP . 4.4 tp -66.48 -49.45 66.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.467 -0.788 . . . . 0.22 110.704 177.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 792' ' ' ASP . 9.2 tp -64.9 -36.71 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.626 -0.261 . . . . 0.51 110.98 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 792' ' ' ASP . 91.6 mmm -64.34 -42.98 95.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.419 -0.355 . . . . 2.69 110.409 176.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.12 97.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.27 110.542 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 794' ' ' LEU . 83.9 mt -58.8 -53.51 46.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.67 110.752 177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.436 HD21 ' HD3' ' A' ' 812' ' ' PRO . 23.2 m-20 -62.83 -36.44 83.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 1.21 111.372 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 23.0 t -62.69 -47.41 83.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.955 0.407 . . . . 1.29 110.621 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -68.67 -43.93 75.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.95 111.664 -178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 53.2 mt -71.94 140.46 18.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.434 -0.348 . . . . 1.56 110.778 178.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.594 ' HA ' ' HB3' ' A' ' 809' ' ' ASN . 7.7 t -159.92 34.65 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.925 0.393 . . . . 2.88 111.066 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -170.91 45.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.451 -0.34 . . . . 5.02 111.373 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 5.2 t -61.64 -45.22 94.98 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.776 0.322 . . . . 5.49 111.172 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -170.14 26.0 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.227 -1.027 . . . . 6.49 108.227 173.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 8.6 p30 170.48 -125.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 113.204 -1.816 . . . . 5.72 107.142 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -138.61 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 120.808 0.337 . . . . 5.77 110.516 169.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.594 ' HB3' ' HA ' ' A' ' 803' ' ' SER . 15.5 p-10 -146.82 132.25 18.63 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.005 -0.368 . . . . 3.06 110.005 176.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 45.2 mm -132.77 -52.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.947 -0.569 . . . . 3.44 110.52 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.489 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 10.0 t -159.88 142.2 9.83 Favored Pre-proline 0 N--CA 1.45 -0.455 0 CA-C-N 115.773 -0.649 . . . . 1.89 109.721 -178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 1.0 OUTLIER -80.0 52.13 4.18 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.291 2.66 . . . . 0.88 111.967 -179.496 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 42.6 mm 74.19 -18.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 123.044 0.537 . . . . 1.67 112.001 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 812' ' ' PRO . 25.4 p 72.8 -37.22 0.38 Allowed 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.016 1.326 . . . . 1.9 111.196 -175.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.481 ' N ' ' HE3' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -78.54 50.08 0.93 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.539 -0.3 . . . . 2.52 110.54 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 828' ' ' LEU . 42.8 pt -63.73 148.74 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.414 0.626 . . . . 1.06 111.196 -177.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.859 ' HB3' ' HB3' ' A' ' 852' ' ' ARG . 28.8 tttp -126.14 142.65 51.43 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.966 -1.494 . . . . 1.35 106.966 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.676 ' CD2' HD23 ' A' ' 828' ' ' LEU . 7.6 p90 -127.04 146.3 50.41 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 121.335 0.588 . . . . 0.3 110.657 -170.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.112 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 32.7 tt0 -127.95 148.32 50.51 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.405 -1.271 . . . . 1.08 109.336 -174.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -122.46 145.27 48.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.605 -168.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.615 ' HB3' ' HG3' ' A' ' 846' ' ' GLU . 82.7 tt0 -41.34 -45.82 3.13 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 125.052 1.341 . . . . 3.38 113.671 -171.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -61.96 -37.83 86.25 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.917 0.389 . . . . 5.63 110.769 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 129.02 59.14 0.1 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.737 . . . . 1.39 112.286 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 26.2 t70 -134.64 146.46 49.56 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 121.182 -0.207 . . . . 1.47 110.653 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.31 127.93 46.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.278 0.561 . . . . 1.16 110.062 -176.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.542 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 58.5 t -144.13 148.89 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 114.811 -1.086 . . . . 1.35 108.909 -173.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.746 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 13.6 p -123.9 135.79 62.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.449 -0.575 . . . . 1.22 109.449 -176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.676 HD23 ' CD2' ' A' ' 818' ' ' TYR . 4.6 pp -128.39 145.25 51.14 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.231 -0.895 . . . . 1.03 111.77 -167.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -177.67 32.56 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.893 0 CA-C-N 115.213 -0.903 . . . . 1.2 111.756 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 49.9 m -153.19 26.62 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.591 0.234 . . . . 1.93 110.874 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.25 -45.54 0.22 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.864 1.266 . . . . 1.79 113.773 176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.49 -36.76 83.54 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.348 0.594 . . . . 2.93 111.066 -179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -66.12 -44.36 84.46 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.215 -0.902 . . . . 2.14 111.531 179.087 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.546 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 27.4 t-105 -66.21 -38.16 87.3 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.527 -0.469 . . . . 0.26 109.827 174.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.605 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 24.5 t-20 -54.61 -51.77 64.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.813 -0.631 . . . . 2.0 110.684 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 833' ' ' ASP . 25.0 m -64.58 -36.79 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 116.473 -0.33 . . . . 1.36 111.391 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.692 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -60.41 -48.37 82.06 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 120.234 -0.587 . . . . 0.19 110.594 176.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.546 ' HD3' ' NE1' ' A' ' 834' ' ' TRP . 9.0 mtmp? -55.93 -54.23 47.29 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.65 0.262 . . . . 1.22 111.648 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 29.3 mm-40 -59.68 -40.58 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 2.22 110.014 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' A' ' 840' ' ' MET . 36.4 ttp -57.58 -50.1 74.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.041 -0.981 . . . . 0.76 110.839 175.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 62.8 mt -61.06 -51.74 67.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.62 111.233 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.83 89.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.85 -0.614 . . . . 0.61 111.848 -176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.28 -54.86 14.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 2.92 111.24 -176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.444 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.0 m-80 -68.0 -35.8 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.607 -0.724 . . . . 1.53 112.396 -176.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 0.0 OUTLIER 93.35 -6.23 0.14 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.305 1.042 . . . . 1.9 109.68 -174.355 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.615 ' HG3' ' HB3' ' A' ' 821' ' ' GLU . 30.5 tt0 -65.36 122.34 16.92 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.267 -1.012 . . . . 2.97 108.267 168.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -143.7 6.2 1.41 Allowed 'General case' 0 C--N 1.321 -0.651 0 C-N-CA 119.535 -0.866 . . . . 2.4 111.705 -169.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 22.0 t80 -77.37 125.21 28.97 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.38 -0.97 . . . . 0.54 108.38 169.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 819' ' ' GLN . 16.9 tp -128.07 140.66 51.82 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.656 0.741 . . . . 0.56 109.901 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.112 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 67.4 m-80 -128.77 147.58 50.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.777 -1.101 . . . . 0.96 108.155 -176.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 0.5 OUTLIER -125.12 124.35 67.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.929 -0.767 . . . . 0.35 108.929 -176.469 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.859 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 80.0 ttt180 -99.88 134.4 42.83 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.36 -0.836 . . . . 2.38 110.463 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 852' ' ' ARG . 18.3 mt -117.37 138.37 51.84 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.654 -1.239 . . . . 1.56 107.654 167.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.162 -0.923 . . . . 1.77 110.443 -165.158 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.028 0.442 . . . . 3.17 111.089 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.488 ' HG3' ' HB2' ' A' ' 853' ' ' LEU . 18.7 pt-20 -75.75 127.82 33.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.984 -0.553 . . . . 3.25 109.787 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.527 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.3 tp -86.73 137.67 20.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.232 0.539 . . . . 0.75 110.14 -179.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.468 ' HD2' HG13 ' A' ' 851' ' ' ILE . 16.3 t80 -128.01 145.43 50.98 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.824 -0.806 . . . . 0.52 108.824 -176.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.2 m -127.71 128.28 45.14 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.97 0.414 . . . . 1.39 110.68 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 783' ' ' LEU . 8.0 tp -150.58 146.9 26.84 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.053 -0.976 . . . . 0.83 108.738 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.602 ' HG ' ' HA ' ' A' ' 848' ' ' PHE . 7.5 mp -125.8 122.49 36.31 Favored 'General case' 0 C--N 1.315 -0.907 0 O-C-N 121.626 -0.671 . . . . 1.53 109.708 -177.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.684 HG13 ' CE3' ' A' ' 789' ' ' TRP . 1.7 t -70.75 83.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.128 -1.397 . . . . 1.1 111.634 -168.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -67.67 -59.46 3.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.603 -0.726 . . . . 3.06 111.885 -175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -104.44 32.12 4.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.425 -0.352 . . . . 1.8 111.916 -171.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.5 t 47.89 70.21 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 CA-C-O 121.392 0.615 . . . . 1.7 111.513 176.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.684 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.0 m0 -55.77 139.54 44.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.343 -0.844 . . . . 0.5 112.517 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.41 45.91 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.583 -0.525 . . . . 2.06 109.583 173.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 45.6 t80 70.06 -50.49 0.64 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.169 -0.923 . . . . 0.47 111.891 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.27 -41.3 96.7 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.97 0.414 . . . . 1.86 110.109 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 789' ' ' TRP . 0.9 OUTLIER -65.44 -40.6 93.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.684 -0.689 . . . . 1.36 109.655 177.218 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 798' ' ' ILE . 8.6 tp -63.69 -45.81 88.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.817 -1.083 . . . . 0.22 110.33 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 42.1 mm -62.65 -45.25 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.347 -0.388 . . . . 0.51 110.852 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 796' ' ' MET . 3.9 mmt -56.9 -45.36 82.66 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.379 -0.373 . . . . 2.69 111.384 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.52 -45.55 92.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.27 110.291 178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 794' ' ' LEU . 75.6 mt -59.31 -51.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.987 -0.551 . . . . 0.67 111.099 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -54.54 -53.15 58.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 1.21 111.621 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 11.5 p -67.32 -41.93 84.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.936 -0.575 . . . . 1.29 111.455 -177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 801' ' ' LYS . 12.6 tppt? -67.92 -44.94 75.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.334 -0.394 . . . . 1.95 111.064 -177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.6 mt -64.59 -39.84 87.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.492 -0.322 . . . . 1.56 110.666 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 93.4 p -86.76 -130.83 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.512 -0.313 . . . . 2.88 110.259 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.447 ' OD1' HG22 ' A' ' 805' ' ' THR . 13.7 p30 -176.57 -32.78 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.774 0.321 . . . . 5.02 111.189 177.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.447 HG22 ' OD1' ' A' ' 804' ' ' ASN . 11.7 t -149.21 -37.45 0.16 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.984 -0.286 . . . . 5.49 111.328 -178.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.42 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 84.2 m-70 -86.97 -142.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.631 0.253 . . . . 6.49 110.463 177.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.42 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 5.9 p30 -138.4 59.94 1.63 Allowed 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.47 -0.937 . . . . 5.72 108.47 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -43.56 -33.59 1.19 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.852 -1.067 . . . . 5.77 110.304 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -158.87 127.55 5.33 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.966 -1.015 . . . . 3.06 111.036 165.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 9.4 tp -87.71 -28.34 5.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.069 -1.086 . . . . 3.44 108.069 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 18.3 m -117.87 112.6 38.38 Favored Pre-proline 0 N--CA 1.437 -1.105 0 CA-C-N 114.401 -1.272 . . . . 1.89 108.232 169.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 814' ' ' THR . 11.8 Cg_exo -71.37 64.51 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 123.315 2.677 . . . . 0.88 111.483 -176.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 815' ' ' LYS . 32.2 mm 75.75 -26.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.532 -0.758 . . . . 1.67 110.919 -174.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.451 ' H ' ' C ' ' A' ' 812' ' ' PRO . 23.8 p 73.89 -29.68 0.2 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.122 1.369 . . . . 1.9 110.168 -170.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 813' ' ' ILE . 3.6 mmpp? -82.24 53.79 2.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.719 -0.673 . . . . 2.52 110.566 173.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 24.5 pt -81.23 145.71 8.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.753 0.787 . . . . 1.06 110.656 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.775 ' HE2' ' HB3' ' A' ' 825' ' ' PHE . 73.0 tttt -126.7 144.85 50.8 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 107.203 -1.406 . . . . 1.35 107.203 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 837' ' ' ALA . 8.2 p90 -126.87 145.76 50.54 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.717 0.77 . . . . 0.3 110.41 -171.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.928 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 37.2 tt0 -130.3 145.75 51.81 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 114.017 -1.447 . . . . 1.08 109.339 -173.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -125.78 136.87 53.63 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.388 -0.369 . . . . 1.73 110.118 -174.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.405 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 3.6 tp10 54.58 23.91 5.01 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 114.719 -1.128 . . . . 3.38 111.472 -175.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 30.0 t70 51.73 45.9 27.42 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.959 -0.564 . . . . 5.63 110.746 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -144.66 -34.55 0.08 OUTLIER Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.062 -1.066 . . . . 1.39 113.9 -175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 819' ' ' GLN . 26.3 t0 -128.25 147.79 50.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.956 0.378 . . . . 1.47 110.704 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.775 ' HB3' ' HE2' ' A' ' 817' ' ' LYS . 16.5 m-85 -124.39 134.92 52.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.926 0.87 . . . . 1.16 111.489 -171.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 818' ' ' TYR . 46.1 t -142.47 147.47 21.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 114.129 -1.396 . . . . 1.35 108.314 -177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.466 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 9.9 p -124.79 135.24 64.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 118.651 0.66 . . . . 1.22 110.396 -175.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 834' ' ' TRP . 4.3 pp -129.5 176.55 7.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 1.03 111.499 -172.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -168.61 -37.52 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.515 -0.766 . . . . 1.2 112.094 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 19.8 m -86.82 -84.68 0.17 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.642 0.238 . . . . 1.93 111.642 -177.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -167.16 -48.41 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.842 0.353 . . . . 1.79 110.902 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -50.15 -49.13 53.13 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.609 -0.723 . . . . 2.93 112.887 -174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.47 ' HB3' ' HB3' ' A' ' 828' ' ' LEU . 1.3 t0 -61.24 -36.74 80.81 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.381 0.61 . . . . 2.14 110.575 -177.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.612 ' HB2' HD22 ' A' ' 828' ' ' LEU . 23.8 t-105 -68.41 -41.13 80.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.802 -0.635 . . . . 0.26 110.567 174.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.537 ' O ' ' HG2' ' A' ' 839' ' ' GLU . 3.1 m120 -55.03 -53.5 55.05 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.367 -0.379 . . . . 2.0 110.437 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.66 -36.27 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.976 -0.556 . . . . 1.36 111.103 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -57.24 -52.31 65.83 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.98 -0.288 . . . . 0.19 110.587 175.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 8.6 mtmp? -56.7 -47.17 80.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.637 -0.256 . . . . 1.22 111.011 178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 835' ' ' ASN . 71.1 mm-40 -58.82 -46.22 88.14 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.144 -0.48 . . . . 2.22 110.343 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 27.1 ttp -53.0 -53.41 50.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.01 -0.996 . . . . 0.76 111.077 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 31.4 mt -59.62 -57.58 12.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.719 -0.673 . . . . 0.62 111.086 -178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.55 -50.5 72.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.528 -0.76 . . . . 0.61 112.47 -174.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.2 mt-10 -68.61 -50.93 47.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.061 0.393 . . . . 2.92 112.061 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.612 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 78.5 m-20 -68.83 -57.94 4.88 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.409 -0.516 . . . . 1.53 111.791 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.612 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 10.3 p30 160.38 -29.8 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 123.719 0.637 . . . . 1.9 110.257 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.93 164.13 2.38 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.514 0.674 . . . . 2.97 112.806 -172.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -163.32 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.346 -0.843 . . . . 2.4 110.284 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.904 ' HE2' HD21 ' A' ' 850' ' ' ASN . 17.4 t80 -60.25 124.11 19.28 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.832 -0.803 . . . . 0.54 108.832 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 819' ' ' GLN . 21.6 tp -129.18 140.42 51.51 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.56 0.695 . . . . 0.56 109.749 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.928 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 2.9 m120 -128.83 145.98 51.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 108.071 -1.085 . . . . 0.96 108.071 -176.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 1.0 OUTLIER -126.18 124.74 66.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 108.941 -0.763 . . . . 0.35 108.941 -174.116 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.738 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 47.7 ttt180 -101.08 114.4 28.31 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.238 -0.437 . . . . 2.38 110.588 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.488 ' HB2' ' HG3' ' A' ' 779' ' ' GLU . 2.7 mm? -90.34 69.8 7.03 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.629 -0.878 . . . . 1.56 108.629 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.145 -0.934 . . . . 1.77 111.871 -171.068 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 111.517 0.192 . . . . 3.17 111.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.21 120.62 11.3 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.826 -0.435 . . . . 3.25 109.826 176.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.792 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.2 tp -76.95 137.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.706 -0.679 . . . . 0.75 110.265 -176.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.642 ' HD2' HG13 ' A' ' 851' ' ' ILE . 28.9 t80 -127.73 145.84 50.77 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.195 -0.911 . . . . 0.52 108.934 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 97.0 m -127.32 129.73 48.2 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.368 0.604 . . . . 1.39 110.572 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 18.9 tp -149.78 146.5 27.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.725 -1.125 . . . . 0.83 109.142 -173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.1 tt -126.64 117.61 23.1 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 120.039 -0.665 . . . . 1.53 109.52 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.467 HG11 ' HH2' ' A' ' 834' ' ' TRP . 14.2 m -69.72 146.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.076 -0.965 . . . . 1.1 112.113 -171.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -153.87 156.4 37.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.486 -0.779 . . . . 3.06 109.518 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 18.9 pttm 47.94 33.86 3.68 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.992 0.917 . . . . 1.8 112.843 -176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 14.2 t 47.28 72.75 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.947 -0.57 . . . . 1.7 111.688 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.421 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 36.5 m0 -54.13 125.79 20.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.978 -0.555 . . . . 0.5 112.195 -177.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -83.55 38.45 0.62 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.872 0.368 . . . . 2.06 110.966 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.436 ' HD1' HD23 ' A' ' 794' ' ' LEU . 23.6 t80 72.76 -47.88 0.68 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.646 0.778 . . . . 0.47 111.354 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -58.25 -47.94 81.98 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.01 0.433 . . . . 1.86 110.265 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 77.0 m-20 -61.7 -41.24 97.32 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.631 -0.713 . . . . 1.36 110.738 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.473 ' O ' HG13 ' A' ' 798' ' ' ILE . 4.8 tp -62.7 -47.11 85.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.326 -0.852 . . . . 0.22 110.658 178.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 38.6 mm -63.71 -42.04 94.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.489 -0.323 . . . . 0.51 111.092 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 90.1 mtp -61.42 -41.13 96.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.815 -0.175 . . . . 2.69 111.077 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.62 97.98 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.754 0.311 . . . . 0.27 110.307 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 794' ' ' LEU . 73.4 mt -60.91 -51.84 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.803 -0.635 . . . . 0.67 110.721 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -56.78 -50.51 72.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.93 -0.577 . . . . 1.21 111.554 -177.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.4 p -65.42 -47.03 77.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.804 0.335 . . . . 1.29 111.507 -177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.47 ' HD3' ' CZ ' ' A' ' 781' ' ' PHE . 55.9 tttm -68.32 -42.29 79.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 1.95 111.644 -176.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 15.0 mt -72.84 -39.8 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 111.896 0.332 . . . . 1.56 111.896 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 71.8 p -56.65 108.6 0.51 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.5 0.667 . . . . 2.88 111.268 -176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.32 -37.3 7.71 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.108 -0.951 . . . . 5.02 108.918 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.45 ' HB ' ' H ' ' A' ' 806' ' ' HIS . 0.3 OUTLIER -58.78 -91.58 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.099 -0.955 . . . . 5.49 112.059 -175.289 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.45 ' H ' ' HB ' ' A' ' 805' ' ' THR . 9.8 p80 -171.65 39.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.569 0.211 . . . . 6.49 111.569 -178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 18.9 p30 -174.44 141.41 0.69 Allowed 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.966 -0.383 . . . . 5.72 109.966 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.72 136.47 58.01 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 109.399 -0.593 . . . . 5.77 109.399 177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.424 ' O ' ' HB ' ' A' ' 810' ' ' ILE . 6.7 m120 -57.13 -27.65 62.03 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.909 -0.587 . . . . 3.06 111.774 -172.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 809' ' ' ASN . 51.4 mm 77.55 -47.59 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.293 0.637 . . . . 3.44 110.073 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.463 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 61.9 m -154.59 130.44 5.42 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 108.599 -0.889 . . . . 1.89 108.599 174.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 3.6 Cg_exo -78.8 42.68 1.31 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.039 2.493 . . . . 0.88 111.966 -177.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.505 HG22 ' HE2' ' A' ' 815' ' ' LYS . 17.8 mm 66.34 141.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 115.461 -0.791 . . . . 1.67 109.552 -175.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 64.3 p -86.57 44.57 1.16 Allowed 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 113.322 0.86 . . . . 1.9 113.322 -162.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.639 ' HE3' ' C ' ' A' ' 815' ' ' LYS . 0.0 OUTLIER -158.16 51.75 0.43 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.219 -1.355 . . . . 2.52 110.585 171.359 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 827' ' ' VAL . 43.3 pt -65.68 146.52 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.628 -0.715 . . . . 1.06 109.73 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.931 ' HG3' ' HB ' ' A' ' 827' ' ' VAL . 37.4 tttp -126.53 144.04 51.01 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.376 -0.972 . . . . 1.35 108.376 -177.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.769 ' CD2' HD23 ' A' ' 828' ' ' LEU . 5.9 p90 -127.64 146.05 50.68 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.855 0.836 . . . . 0.3 111.58 -171.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 1.028 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 31.1 tt0 -128.38 147.33 50.63 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 113.789 -1.55 . . . . 1.08 108.846 -177.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 824' ' ' ASP . 10.7 p-10 -124.07 143.75 50.27 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 108.135 -1.061 . . . . 1.73 108.135 -178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.822 ' HB2' ' HB3' ' A' ' 848' ' ' PHE . 83.1 tt0 -49.13 -29.47 5.39 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.27 -0.877 . . . . 3.38 112.771 -167.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.55 -33.76 60.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 5.63 110.717 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 119.04 48.7 0.35 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 1.39 112.629 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.496 ' HB3' ' OD1' ' A' ' 820' ' ' ASP . 13.1 t70 -134.45 145.42 48.85 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.874 -0.331 . . . . 1.47 111.14 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 852' ' ' ARG . 0.1 OUTLIER -126.45 124.52 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.517 0.675 . . . . 1.16 110.097 -177.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -149.92 149.81 14.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-N 114.101 -1.408 . . . . 1.35 108.743 -171.197 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.931 ' HB ' ' HG3' ' A' ' 817' ' ' LYS . 7.3 p -122.0 136.2 59.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 O-C-N 121.557 -0.714 . . . . 1.22 109.833 -168.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.769 HD23 ' CD2' ' A' ' 818' ' ' TYR . 3.7 pp -128.57 155.39 44.99 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.911 -1.04 . . . . 1.03 110.52 -169.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 178.01 42.22 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.948 -0.644 . . . . 1.2 111.969 177.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 831' ' ' ASP . 0.9 OUTLIER -137.71 -71.93 0.43 Allowed 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.863 -0.335 . . . . 1.93 110.881 -177.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 830' ' ' SER . 50.9 t0 171.04 -56.61 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 109.339 -0.615 . . . . 1.79 109.339 178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.517 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.5 mm-40 -62.94 -37.58 87.62 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 115.282 -0.872 . . . . 2.93 111.376 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -57.52 -45.67 84.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.308 -0.405 . . . . 2.14 111.32 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.502 ' NE1' ' HD3' ' A' ' 838' ' ' LYS . 20.8 t-105 -67.64 -43.29 80.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.601 -0.272 . . . . 0.26 110.711 174.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.526 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 82.8 m-20 -57.31 -41.53 80.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.654 -0.248 . . . . 2.0 110.677 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 832' ' ' GLU . 70.0 t -60.8 -46.65 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.385 -0.37 . . . . 1.36 110.71 175.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -57.68 -48.11 80.44 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.855 -0.338 . . . . 0.19 110.836 177.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 835' ' ' ASN . 50.5 mtmt -56.86 -48.86 77.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.584 -0.28 . . . . 1.22 111.236 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -43.98 96.34 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.344 -0.389 . . . . 2.22 110.465 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -53.51 -49.6 67.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.181 -0.463 . . . . 0.76 110.54 176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 837' ' ' ALA . 22.9 mt -62.0 -58.29 8.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 0.62 111.188 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.89 82.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.429 -0.805 . . . . 0.61 112.515 -173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -65.98 -52.52 48.78 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.083 0.239 . . . . 2.92 111.311 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 845' ' ' ASN . 65.4 m-80 -68.38 -58.96 3.56 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.633 -0.427 . . . . 1.53 111.974 -176.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 844' ' ' ASN . 21.4 p30 156.24 -27.82 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 124.04 0.838 . . . . 1.9 110.023 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 846' ' ' GLU . 1.0 OUTLIER -59.39 159.91 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.322 -0.854 . . . . 2.97 111.706 -174.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.77 -27.25 0.1 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.334 -0.394 . . . . 2.4 110.63 -178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.822 ' HB3' ' HB2' ' A' ' 821' ' ' GLU . 9.0 t80 -62.39 127.79 32.99 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.412 -0.358 . . . . 0.54 110.094 177.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 819' ' ' GLN . 17.7 tp -128.4 142.97 50.95 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 121.522 0.677 . . . . 0.56 110.406 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 1.028 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 71.7 m-80 -128.73 146.73 50.81 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.377 -0.972 . . . . 0.96 108.377 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.642 HG13 ' HD2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -126.09 127.32 70.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.628 -0.508 . . . . 0.35 109.628 -174.07 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 71.3 ttt180 -100.49 113.52 26.37 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-O 121.055 0.455 . . . . 2.38 109.814 175.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 853' ' ' LEU . 2.9 mm? -94.78 56.7 2.06 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.885 -0.598 . . . . 1.56 109.754 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.531 ' HB3' ' NE ' ' A' ' 852' ' ' ARG . 48.3 p90 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.461 -0.78 . . . . 1.77 111.236 -174.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.106 0.479 . . . . 3.17 110.786 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.431 ' HG2' HD23 ' A' ' 853' ' ' LEU . 2.9 pm0 -75.38 128.22 34.89 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.807 -0.633 . . . . 3.25 109.798 176.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.407 HD11 ' HB3' ' A' ' 850' ' ' ASN . 7.5 tp -89.8 137.23 21.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.952 -0.567 . . . . 0.75 110.004 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.568 ' HD2' HG13 ' A' ' 851' ' ' ILE . 18.3 t80 -128.23 145.69 50.96 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.37 -0.832 . . . . 0.52 109.121 -177.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.4 p -127.0 131.89 50.9 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.659 -0.497 . . . . 1.39 109.659 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 27.3 tp -149.62 147.27 27.92 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.036 -0.984 . . . . 0.83 109.747 -169.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.536 ' HG ' ' HG2' ' A' ' 847' ' ' LYS . 7.4 tp -126.09 116.74 21.85 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.914 -0.772 . . . . 1.53 108.914 -176.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.587 HG11 ' HH2' ' A' ' 834' ' ' TRP . 20.7 m -67.37 123.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.533 -0.758 . . . . 1.1 111.601 -170.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.82 -83.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.361 -0.836 . . . . 3.06 110.935 -172.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.418 ' HD3' ' H ' ' A' ' 787' ' ' LYS . 1.7 mppt? -83.09 35.66 0.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.637 -0.256 . . . . 1.8 111.4 -176.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 76.3 t 71.17 -47.18 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 122.854 0.461 . . . . 1.7 110.938 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.441 ' CD1' ' HB3' ' A' ' 793' ' ' ASP . 53.2 m0 72.09 127.57 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.727 0.811 . . . . 0.5 111.671 175.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.8 44.64 1.13 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.769 -0.456 . . . . 2.06 109.769 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.514 ' HD1' HD23 ' A' ' 794' ' ' LEU . 15.5 t80 71.82 -45.05 0.61 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.819 0.847 . . . . 0.47 111.815 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -60.81 -45.84 92.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.128 0.49 . . . . 1.86 110.259 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.441 ' HB3' ' CD1' ' A' ' 789' ' ' TRP . 1.6 t70 -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.697 -0.683 . . . . 1.36 110.438 178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.514 HD23 ' HD1' ' A' ' 791' ' ' PHE . 4.2 tp -61.57 -46.14 91.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.06 -0.973 . . . . 0.22 110.723 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 41.9 mm -62.68 -41.33 91.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.525 -0.307 . . . . 0.51 110.658 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 81.8 mmm -58.31 -44.83 88.75 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 2.69 111.078 177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.71 88.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.27 110.643 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 794' ' ' LEU . 82.5 mt -57.65 -53.72 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.774 -0.648 . . . . 0.67 111.198 178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.513 ' HB3' ' O ' ' A' ' 808' ' ' ASN . 66.8 m-20 -63.36 -36.75 84.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.41 . . . . 1.21 111.508 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 12.5 t -62.53 -47.71 82.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.061 0.458 . . . . 1.29 110.336 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 781' ' ' PHE . 28.9 mmmt -69.4 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.977 -0.556 . . . . 1.95 111.914 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 47.7 mt -76.37 132.16 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.419 -0.355 . . . . 1.56 111.642 -175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 9.8 t 59.6 37.03 22.74 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.81 -0.632 . . . . 2.88 110.424 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -78.63 41.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 5.02 112.567 -178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 12.3 p -72.84 -61.83 1.67 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.064 0.459 . . . . 5.49 110.025 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.41 35.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.077 -0.965 . . . . 6.49 109.563 174.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -144.25 150.65 38.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.945 -1.025 . . . . 5.72 109.021 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.513 ' O ' ' HB3' ' A' ' 799' ' ' ASN . 2.1 m120 -84.76 13.63 5.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.191 -0.3 . . . . 5.77 110.191 175.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 45.0 t30 66.2 146.63 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.648 0.779 . . . . 3.06 111.918 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.464 HD12 ' N ' ' A' ' 810' ' ' ILE . 1.6 mp -72.13 -64.66 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.239 0.542 . . . . 3.44 109.964 -178.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 50.1 m -163.57 144.99 7.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.352 -0.84 . . . . 1.89 109.538 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.798 ' HB2' HG23 ' A' ' 816' ' ' ILE . 6.0 Cg_exo -76.2 50.42 2.86 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.406 2.738 . . . . 0.88 111.219 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.887 HG22 ' HE2' ' A' ' 815' ' ' LYS . 8.9 mm 68.13 15.32 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 CA-C-N 114.377 -1.283 . . . . 1.67 111.801 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 11.1 p 69.62 -41.48 0.48 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.343 1.457 . . . . 1.9 113.59 171.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.887 ' HE2' HG22 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -115.17 59.13 0.71 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.175 0.988 . . . . 2.52 110.137 177.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.798 HG23 ' HB2' ' A' ' 812' ' ' PRO . 0.0 OUTLIER -46.04 150.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 113.651 -1.613 . . . . 1.06 110.471 173.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.452 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 18.0 ttmm -126.51 145.13 50.63 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.962 -1.125 . . . . 1.35 107.962 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 826' ' ' VAL . 4.0 p90 -126.39 146.02 50.23 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.69 0.757 . . . . 0.3 110.42 -169.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.851 ' HB3' ' HB2' ' A' ' 850' ' ' ASN . 26.2 tt0 -127.72 145.34 50.93 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.056 -1.429 . . . . 1.08 108.657 -175.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.455 ' HB3' ' HE3' ' A' ' 840' ' ' MET . 0.2 OUTLIER -126.74 137.33 53.23 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.422 -0.584 . . . . 1.73 109.422 -174.222 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 846' ' ' GLU . 68.1 mt-10 55.17 25.12 6.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 114.571 -1.195 . . . . 3.38 111.636 -175.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.762 ' HA ' ' NE2' ' A' ' 819' ' ' GLN . 35.4 t70 54.54 51.75 13.5 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.124 -0.489 . . . . 5.63 111.294 178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . -161.59 -25.91 0.02 OUTLIER Glycine 0 CA--C 1.522 0.502 0 C-N-CA 119.379 -1.391 . . . . 1.39 114.943 -175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.578 ' O ' ' HA ' ' A' ' 819' ' ' GLN . 44.0 t0 -126.98 147.5 50.12 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.961 0.88 . . . . 1.47 110.427 -173.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.45 ' CE1' ' OE1' ' A' ' 819' ' ' GLN . 12.3 m-85 -124.92 131.26 53.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.7 0.762 . . . . 1.16 111.838 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 818' ' ' TYR . 43.4 t -145.13 148.45 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.054 -1.43 . . . . 1.35 107.649 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 9.4 p -123.49 139.73 49.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 118.573 0.624 . . . . 1.22 109.424 -173.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' A' ' 833' ' ' ASP . 1.3 pp -128.16 162.68 26.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.757 . . . . 1.03 112.782 -166.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . 169.6 -35.14 0.18 Allowed Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 114.34 -1.3 . . . . 1.2 110.534 -177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 831' ' ' ASP . 0.6 OUTLIER -72.55 -8.29 54.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.212 -0.494 . . . . 1.93 111.45 179.506 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 830' ' ' SER . 36.4 t70 77.82 -37.48 0.24 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.681 0.793 . . . . 1.79 111.0 -175.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.06 -40.72 81.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.048 0.452 . . . . 2.93 110.413 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.626 ' HB2' ' HB3' ' A' ' 828' ' ' LEU . 0.0 OUTLIER -58.18 -43.91 87.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.038 -0.983 . . . . 2.14 110.266 175.02 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.615 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 16.7 t-105 -66.91 -42.1 85.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.498 -0.774 . . . . 0.26 110.689 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.493 ' HA ' ' HE2' ' A' ' 838' ' ' LYS . 72.9 m-20 -58.32 -45.86 87.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.556 -0.293 . . . . 2.0 111.221 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 833' ' ' ASP . 19.0 m -66.91 -36.37 77.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 120.585 -0.446 . . . . 1.36 110.847 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 818' ' ' TYR . . . -60.24 -47.52 85.65 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.593 0.235 . . . . 0.19 110.767 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 51.9 mtmt -59.43 -44.42 92.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 1.22 110.81 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 843' ' ' GLU . 51.7 mm-40 -56.59 -49.88 73.59 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.282 0.563 . . . . 2.22 110.008 175.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.455 ' HE3' ' HB3' ' A' ' 820' ' ' ASP . 41.4 ttp -53.82 -51.98 61.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.751 -1.113 . . . . 0.76 111.302 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.685 ' HB3' ' HA ' ' A' ' 847' ' ' LYS . 67.1 mt -60.38 -43.3 96.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.447 -0.342 . . . . 0.62 111.012 178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.47 -49.26 64.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.61 112.004 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 839' ' ' GLU . 56.1 mt-10 -63.93 -44.15 93.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.264 0.554 . . . . 2.92 110.284 -179.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -65.57 -34.38 78.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.113 -0.949 . . . . 1.53 111.149 177.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 72.29 20.04 4.22 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.591 0.756 . . . . 1.9 109.27 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.973 ' HG2' ' HG2' ' A' ' 821' ' ' GLU . 47.1 tp10 -94.1 -45.4 7.57 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.737 -1.12 . . . . 2.97 110.161 -174.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . 0.685 ' HA ' ' HB3' ' A' ' 841' ' ' LEU . 36.7 ttmt 69.08 -19.24 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.286 0.847 . . . . 2.4 113.286 171.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.31 124.57 20.97 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.54 110.414 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 20.3 tp -128.35 140.42 51.87 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.55 -0.75 . . . . 0.56 109.846 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.851 ' HB2' ' HB3' ' A' ' 819' ' ' GLN . 1.6 m120 -128.35 145.97 50.91 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 107.522 -1.288 . . . . 0.96 107.522 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.568 HG13 ' HD2' ' A' ' 781' ' ' PHE . 0.8 OUTLIER -126.8 127.8 70.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.564 -0.532 . . . . 0.35 109.564 -173.509 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.406 ' HB2' ' HE2' ' A' ' 825' ' ' PHE . 51.6 ttt180 -106.96 127.59 53.58 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 115.721 -0.672 . . . . 2.38 110.265 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.431 HD23 ' HG2' ' A' ' 779' ' ' GLU . 2.8 mm? -103.69 137.79 41.23 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.172 -1.047 . . . . 1.56 108.172 175.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.452 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 24.4 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.762 -0.637 . . . . 1.77 110.22 -173.416 . . . . . . . . 1 1 . 1 stop_ save_